SCHEMBL504493

SCHEMBL504493

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
EPHX2 P34913 7/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.40
NAAA Q02083 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL1677834 0.99 P2RX7 (0.44) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
Hydrochloric Acid SCHEMBL1677990 0.99 P2RX7 (0.44) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1678501 0.99 P2RX7 (0.44) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1677544 0.97 P2RX7 (0.44) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1678249 0.97 P2RX7 (0.46) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1677470 0.96 P2RX7 (0.45) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
Hydrochloric Acid SCHEMBL1679211 0.96 P2RX7 (0.45) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1678524 0.96 P2RX7 (0.45) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1677587 0.96 P2RX7 (0.45) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1
SCHEMBL1677703 0.94 P2RX7 (0.46) P2RX7SMN1; SMN2EPHX2ALDH1A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012268-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATION WITH STEROIDS AND A MODULATOR BUZZELET DEVELOPMENT AND TECHNOLOGIES LTD (IL) 2023-01-12 US claimed
US-20220168246-A1 COMPOSITONS FOR THE TREATMENT OF A CONDITION CHARACTERIZED BY ANANDAMIDE DEFICIENCY AND USES THEREOF BUZZELET DEVELOPMENT AND TECHNOLOGIES LTD (IL) 2022-06-02 US claimed
US-20190038573-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2019-02-07 US claimed
EP-3295794-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE Flex Pharma, Inc. (US) 2018-03-21 EP claimed
EP-2629610-B1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE FLEX PHARMA INC (US) 2017-09-06 EP claimed
EP-3131541-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE Flex Pharma, Inc. (US) 2017-02-22 EP claimed
US-20170042834-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2017-02-16 US claimed
WO-2015160843-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE FLEX PHARMA, INC. (US) 2015-10-22 WO claimed
EP-2351566-B1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT SANTEN PHARMACEUTICAL CO LTD (JP) 2014-12-10 EP claimed
US-8901155-B2 Method for treating a TRPV1-mediated disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US claimed
US-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US claimed
EP-2351566-A1 PHARMACEUTICAL COMPOSITION IMPROVED IN ABSORPTION THROUGH INTESTINAL TRACT Santen Pharmaceutical Co., Ltd (JP) 2011-08-03 EP claimed
US-20100261911-A1 THERAPEUTIC AGENT FOR TRPV1-MEDIATED DISEASE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US claimed
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US claimed
EP-1743885-B1 1-[(adamantyl)alkyl]-3-[(pyridinyl)alkyl]urea compounds as TNF-.alpha inhibitors useful for autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-11 EP claimed
EP-1302461-B1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO LTD (JP) 2007-09-26 EP claimed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP claimed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US claimed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP claimed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SLC10A2, NR1H4, SLC10A6 P2RX7 1697/4885SMN1; SMN2 4040/4885EPHX2 3232/4885
US-20100261911-A1 THERAPEUTIC AGENT FOR TRPV1-MEDIATED DISEASE TRPV1, TRPA1, TRPV3 P2RX7 164/4885SMN1; SMN2 3244/4885EPHX2 2972/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 P2RX7 2242/4885SMN1; SMN2 4171/4885EPHX2 1239/4885

“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.