SCHEMBL9963176

SCHEMBL9963176

CC(C)n1cc(-c2ccccc2)nn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.66
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
BCHE P06276 1/20 0.45
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
CA9 Q16790 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL12377290 0.96 CYP19A1 (0.62) CYP19A1NPC1RAB9ABCHEPTGS2
SCHEMBL11965518 0.83 FLT3 (0.46) CYP19A1NPC1RAB9APTGS2PTGS1
SCHEMBL23381117 0.82 CYP19A1 (0.43) CYP19A1CA2CA9
SCHEMBL9729950 0.81 PTGS2 (0.46) CYP19A1NPC1RAB9APTGS2PTGS1
SCHEMBL12377326 0.81 PTGS2 (0.46) CYP19A1NPC1RAB9APTGS2PTGS1
SCHEMBL25825570 0.81 CYP19A1 (0.49) CYP19A1NPC1RAB9ALMNACA2
SCHEMBL19449445 0.81 MIF (0.51) CYP19A1LMNASMN1; SMN2KDREPHB4
SCHEMBL19697583 0.81 CA2 (0.48) CYP19A1NPC1RAB9ATSHRCA12
SCHEMBL25898935 0.80 CYP19A1 (0.47) CYP19A1NPC1RAB9ALMNACA2
SCHEMBL22050888 0.80 CHRNB2 (0.46) CYP19A1CA12CA9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718600-B2 1,2,3-triazole inhibitors of P97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-08-08 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
WO-2021222767-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2021-11-04 WO disclosed
US-11130764-B2 Analogs of vincamine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-09-28 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
US-20130274212-A1 Sesterterpene Compounds and Use Thereof SNU R&DB FOUNDATION (KR) 2013-10-17 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO 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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 CYP19A1 2015/4885NPC1 3086/4885RAB9A 809/4885
US-11718600-B2 1,2,3-triazole inhibitors of P97 AAA ATPase activity ATAD3B, ATAD3A, PSMG3 CYP19A1 3861/4885NPC1 399/4885RAB9A 1405/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 CYP19A1 2015/4885NPC1 3086/4885RAB9A 809/4885
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE CYP19A1 4529/4885NPC1 1326/4885RAB9A 1505/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE CYP19A1 4529/4885NPC1 1326/4885RAB9A 1505/4885
US-20130274212-A1 Sesterterpene Compounds and Use Thereof LIPC, LIPE, FABP4 CYP19A1 814/4885NPC1 458/4885RAB9A 2494/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP19A1 2334/4885NPC1 1934/4885RAB9A 1162/4885
US-11130764-B2 Analogs of vincamine and uses thereof GLS, GLS2, VAT1 CYP19A1 209/4885NPC1 3456/4885RAB9A 405/4885

“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.