SCHEMBL1677620

SCHEMBL1677620

CCCCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCC=Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 0.38
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL1677828 1.00 SMN1; SMN2 (0.40) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL1677618 1.00 SMN1; SMN2 (0.40) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL14640243 0.85 CNR2 (0.31) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL1679094 0.83 P2RX7 (0.55) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL504493 0.82 P2RX7 (0.45) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL1677470 0.82 P2RX7 (0.45) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL1677990 0.81 P2RX7 (0.44) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL1677834 0.81 P2RX7 (0.44) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL1678200 0.81 P2RX7 (0.39) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1
SCHEMBL1677544 0.81 P2RX7 (0.44) SMN1; SMN2P2RX7EPHX2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2666767-A1 Therapeutic agent for TRPV1-mediated disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-11-27 EP 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
EP-2210878-A1 THERAPEUTIC AGENT FOR TRPV1-MEDIATED DISEASE Santen Pharmaceutical Co., Ltd (JP) 2010-07-28 EP 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-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
US-20190038573-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2019-02-07 US disclosed
EP-3131541-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE Flex Pharma, Inc. (US) 2017-02-22 EP disclosed
US-20170042834-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2017-02-16 US disclosed
WO-2015160843-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE FLEX PHARMA, INC. (US) 2015-10-22 WO disclosed
US-8901155-B2 Method for treating a TRPV1-mediated disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 US 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-20110201655-A1 PHARMACEUTICAL COMPOSITION IMPROVING INTESTINAL ABSORPTION SLC10A2, NR1H4, SLC10A6 SMN1; SMN2 4040/4885P2RX7 1697/4885EPHX2 3232/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 SMN1; SMN2 4717/4885P2RX7 1805/4885EPHX2 2296/4885
US-20100261911-A1 THERAPEUTIC AGENT FOR TRPV1-MEDIATED DISEASE TRPV1, TRPA1, TRPV3 SMN1; SMN2 3244/4885P2RX7 164/4885EPHX2 2972/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 SMN1; SMN2 4171/4885P2RX7 2242/4885EPHX2 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.