SCHEMBL15524740

SCHEMBL15524740

Cc1cc(N)ccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.41
TRPC6 Q9Y210 1/20 0.39
FAAH O00519 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PROKR1 Q8TCW9 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 1/20 0.37
DRD4 P21917 1/20 0.37
BTK Q06187 2/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 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
SCHEMBL14320588 0.88 OPRL1 (0.52) OPRL1ALDH1A1SLC9A1ADRA1DHTR2A
SCHEMBL3812754 0.88 DRD2 (0.41) TRPC6FAAHHTR1DHTR1BTRPV1
SCHEMBL19097420 0.84 MAPT (0.41) OPRL1FAAHTRPV1MEN1KMT2A
SCHEMBL17395599 0.83 SLC9A1 (0.38) TRPC6HTR1DHTR1BMEN1KMT2A
SCHEMBL14320745 0.82 TLR8 (0.41) OPRL1BTKSLC9A1
SCHEMBL7985253 0.82 PARP10 (0.41) OPRL1MAPTALDH1A1NPC1CRBN
SCHEMBL31140149 0.82 PARP10 (0.41) OPRL1MAPTALDH1A1NPC1CRBN
SCHEMBL28094425 0.82 MEN1 (0.52) TRPC6MEN1KMT2AMAPTALDH1A1
SCHEMBL30021635 0.81 MAPT (0.51) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL1159547 0.81 MAPT (0.51) MEN1KMT2AMAPTALDH1A1THRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 US disclosed
WO-2018011570-A1 WEE-1 INHIBITING PYRIDOPYRIMIDINONE COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2018-01-18 WO disclosed
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 EP disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 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 (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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS OPRL1 3836/4885TRPC6 3654/4885FAAH 3775/4885
US-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR OPRL1 1495/4885TRPC6 3512/4885FAAH 3812/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR OPRL1 3004/4885TRPC6 3766/4885FAAH 3475/4885

“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.