SCHEMBL3433903

SCHEMBL3433903

CCc1cc(C2CC2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.43
C5AR1 P21730 1/20 0.36
LRRK2 Q5S007 3/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMB5 P28074 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTRK1 P04629 1/20 0.32
CACNA1H O95180 1/20 0.32
KCNT1 Q5JUK3 1/20 0.30
CTSK P43235 3/20 0.30
CTSS P25774 2/20 0.30
HRH4 Q9H3N8 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
IDO1 P14902 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL10268367 0.89 MPO (0.41) MPOC5AR1LRRK2PSMB8PSMB9
SCHEMBL22084225 0.83 MPO (0.45) MPOC5AR1PSMB8PSMB9PSMB5
Hydrochloric Acid SCHEMBL22031938 0.83 MPO (0.45) MPOC5AR1PSMB8PSMB9PSMB5
SCHEMBL16666980 0.83 MPO (0.42) MPOC5AR1PSMB8PSMB9PSMB5
SCHEMBL251511 0.83 MPO (0.42) MPOC5AR1PSMB8PSMB9PSMB5
SCHEMBL10202942 0.80 MPO (0.41) MPOLRRK2PSMB8PSMB9PSMB5
SCHEMBL22549676 0.78 MPO (0.39) MPOPSMB8PSMB9PSMB5NTRK1
SCHEMBL19851045 0.77 KDM4E (0.36) MPONPC1RAB9ASMN1; SMN2
SCHEMBL15677575 0.75 MPO (0.36) MPOLRRK2
SCHEMBL24258800 0.75 MPO (0.38) MPOPSMB8PSMB9PSMB5CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 US disclosed
EP-2865669-B1 NOVEL REBAMIPIDE PRODRUG, METHOD FOR PRODUCING SAME, AND USAGE THEREOF SAMJIN PHARM CO LTD (KR) 2021-04-28 EP disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150141409-A1 NOVEL REVAMIPIDE PRODRUGS, PREPARATION METHOD AND USE THEREOF ASTECH. CO., LTD. (KR) 2015-05-21 US disclosed
US-20150141409-A1 NOVEL REVAMIPIDE PRODRUGS, PREPARATION METHOD AND USE THEREOF ASTECH. CO., LTD. (KR) 2015-05-21 US disclosed
EP-2865669-A1 NOVEL REBAMIPIDE PRODRUG, METHOD FOR PRODUCING SAME, AND USAGE THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2015-04-29 EP disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 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 (8 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E MPO 4110/4885C5AR1 2665/4885LRRK2 862/4885
US-20150141409-A1 NOVEL REVAMIPIDE PRODRUGS, PREPARATION METHOD AND USE THEREOF REV1, GRPR, SI MPO 126/4885C5AR1 2019/4885LRRK2 3802/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MPO 2327/4885C5AR1 259/4885LRRK2 3009/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E MPO 4110/4885C5AR1 2665/4885LRRK2 862/4885
US-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B MPO 3806/4885C5AR1 713/4885LRRK2 1070/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 MPO 3914/4885C5AR1 3427/4885LRRK2 1160/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 MPO 3085/4885C5AR1 28/4885LRRK2 3603/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 MPO 4809/4885C5AR1 4087/4885LRRK2 1144/4885

“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.