SCHEMBL3535989

SCHEMBL3535989

CCCCn1cc(CC)nn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.50
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
AMY1A P0DUB6 1/20 0.46
CYP19A1 P11511 1/20 0.44

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
SCHEMBL5021078 0.94 GBA1 (0.56) GBA1HRH4HRH3
SCHEMBL21555593 0.92 GBA1 (0.58) GBA1HRH4HRH3
SCHEMBL3550825 0.92 GBA1 (0.58) GBA1HRH4HRH3
SCHEMBL19604902 0.92 GBA1 (0.58) GBA1HRH4HRH3
SCHEMBL12299387 0.90 GBA1 (0.51) GBA1HRH4HRH3
SCHEMBL12299383 0.90 GBA1 (0.51) GBA1HRH4HRH3
SCHEMBL1753962 0.88 GBA1 (0.45) GBA1HRH4HRH3CYP19A1
SCHEMBL5020804 0.86 HRH4 (0.58) GBA1HRH4HRH3CYP19A1
SCHEMBL3536027 0.86 CYP19A1 (0.56) GBA1HRH4HRH3CYP19A1
SCHEMBL15958720 0.85 HRH4 (0.65) GBA1HRH4HRH3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239750-A1 BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS C4 THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD (US) 2023-10-19 US disclosed
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
US-11014970-B2 Modifications and uses of conotoxin peptides KINETA CHRONIC PAIN, LLC (US) 2021-05-25 US disclosed
WO-2020236969-A1 COMPOSITIONS AND METHODS RELATING TO DETECTION, INHIBITION, AND IMAGING OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) INDI MOLECULAR, INC. (US) 2020-11-26 WO disclosed
WO-2020142102-A9 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS KINETA CHRONIC PAIN, LLC (US) 2020-11-19 WO disclosed
US-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS KINETA CHRONIC PAIN, LLC (US) 2020-07-30 US disclosed
WO-2020142102-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS KINETA CHRONIC PAIN, LLC (US) 2020-07-09 WO disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 US disclosed
US-20110311516-A1 Chemically Programmed Vaccination THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-22 US disclosed
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2011-10-27 US disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-7981999-B2 Peptidomimetics; kits; macrocyclization AILERON THERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
WO-2008104000-A2 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2008-08-28 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 (11 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-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GBA1 4570/4885HRH4 1806/4885HRH3 1158/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GBA1 1017/4885HRH4 4083/4885HRH3 3193/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GBA1 2752/4885HRH4 4334/4885HRH3 3879/4885
US-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS CHRNG, CHRNA9, CHRNA10 GBA1 2233/4885HRH4 1173/4885HRH3 1240/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP GBA1 280/4885HRH4 4460/4885HRH3 3972/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 GBA1 946/4885HRH4 4246/4885HRH3 3700/4885
US-20110311516-A1 Chemically Programmed Vaccination CD69, CD4, ICOS GBA1 3962/4885HRH4 1888/4885HRH3 648/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GBA1 2876/4885HRH4 3022/4885HRH3 2281/4885
US-11014970-B2 Modifications and uses of conotoxin peptides CHRNA9, CHRNA10, CHRNA7 GBA1 1436/4885HRH4 637/4885HRH3 801/4885
US-20230330240-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS HAVCR2, ACE2, EPCAM GBA1 1518/4885HRH4 4345/4885HRH3 3902/4885

“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.