SCHEMBL93873

SCHEMBL93873

CCN(CC)CCN(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
TSHR P16473 3/20 0.56
MAOA P21397 3/20 0.56
CYP2D6 P10635 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 2/20 0.56
HTR3A P46098 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
ACHE P22303 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PMP22 Q01453 1/20 0.55
MCHR1 Q99705 2/20 0.52
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14174803 0.85 MCHR1 (0.53) LMNATSHRALDH1A1MAPK1SLC22A2
SCHEMBL4481559 0.85 LMNA (0.58) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL5123550 0.84 NAMPT (0.48) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL1409728 0.84 PHLPP2 (0.56) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL25526179 0.84 LMNA (0.48) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL8401563 0.81 PHLPP2 (0.45) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL12459914 0.81 HDAC4 (0.48) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL11925144 0.80 LMNA (0.52) LMNATSHRMAOACYP2D6ALDH1A1
SCHEMBL24505748 0.79 ALDH1A1 (0.53) LMNATSHRCYP2D6ALDH1A1CYP2C19
SCHEMBL380774 0.78 HDAC1 (0.45) LMNATSHRMAOACYP2D6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3485881-B1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS HARVARD COLLEGE (US) 2024-03-13 EP disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US disclosed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US disclosed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 US disclosed
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 US disclosed
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-08-04 US disclosed
EP-2446903-B1 Compositions for treating itch HARVARD COLLEGE (US) 2019-10-09 EP disclosed
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION 2019-07-18 US disclosed
EP-3485881-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2019-05-22 EP disclosed
EP-2451944-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2012-05-16 EP disclosed
EP-2446903-A2 Methods, compositions, and kits for treating pain and pruritis President and Fellows of Harvard College (US) 2012-05-02 EP disclosed
EP-2425858-A2 Compositions for treating pain and pruritus President and Fellows of Harvard College (US) 2012-03-07 EP disclosed
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-14 US disclosed
WO-2011006073-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 WO disclosed
EP-2271329-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS President and Fellows of Harvard College (US) 2011-01-12 EP disclosed
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US disclosed
EP-2101819-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-23 EP disclosed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 WO disclosed
WO-2008063603-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-05-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 LMNA 764/4885TSHR 4201/4885MAOA 3680/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 LMNA 764/4885TSHR 4201/4885MAOA 3680/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 LMNA 2620/4885TSHR 2439/4885MAOA 2128/4885
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS TRPV1, OPRL1, ITCH LMNA 4147/4885TSHR 3892/4885MAOA 2901/4885
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 LMNA 2184/4885TSHR 744/4885MAOA 1318/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 LMNA 764/4885TSHR 4201/4885MAOA 3680/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 LMNA 764/4885TSHR 4201/4885MAOA 3680/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 LMNA 786/4885TSHR 4135/4885MAOA 3776/4885
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 LMNA 2184/4885TSHR 744/4885MAOA 1318/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.