SCHEMBL752235

SCHEMBL752235

CCN(CC)CCNC(=O)c1cc[c]cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
LMNA P02545 2/20 0.68
SLC22A2 O15244 1/20 0.68
SLC22A1 O15245 1/20 0.68
TSHR P16473 1/20 0.68
ACHE P22303 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
BLM P54132 2/20 0.66
PMP22 Q01453 1/20 0.66
NFKB1 P19838 1/20 0.62
KCNH2 Q12809 1/20 0.62
POLB P06746 2/20 0.61
CYP3A4 P08684 1/20 0.61
THRB P10828 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SCN1A P35498 1/20 0.58
SCN2A Q99250 1/20 0.58
SCN3A Q9NY46 1/20 0.58

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
SCHEMBL14797432 0.91 LMNA (0.56) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL8128025 0.86 ALDH1A1 (0.50) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL542239 0.83 TDP1 (0.74) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL395691 0.83 ALDH1A1 (0.59) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL9254351 0.82 ALDH1A1 (0.74) ALDH1A1LMNASLC22A2SLC22A1TSHR
Hydrochloric Acid SCHEMBL7576777 0.82 TDP1 (0.72) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL10195011 0.82 LMNA (0.74) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL2385793 0.82 ALDH1A1 (0.57) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL2477903 0.81 KDM4E (0.56) ALDH1A1LMNAPOLBTHRBSMN1; SMN2
SCHEMBL24185288 0.81 LMNA (0.72) ALDH1A1LMNASLC22A2SLC22A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
CN-108947885-A The glycan of MS signal with enhancing and the rapid fluorescence label of other biomolecule 沃特世科技公司 2018-12-07 CN disclosed
CN-103842818-B Rapid fluorescent labeling of glycans and other biomolecules with enhanced MS signal 沃特世科技公司 2018-09-21 CN disclosed
EP-2091527-B1 SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2016-03-23 EP disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000059901-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2000-10-12 WO disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP 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 (4 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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885LMNA 1738/4885SLC22A2 844/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 ALDH1A1 4724/4885LMNA 2320/4885SLC22A2 1439/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD ALDH1A1 4785/4885LMNA 3090/4885SLC22A2 4260/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885LMNA 1738/4885SLC22A2 844/4885

“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.