SCHEMBL3544302

SCHEMBL3544302

CCCCCn1cc(CCC)nn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.59
HRH4 Q9H3N8 2/20 0.57
HRH3 Q9Y5N1 2/20 0.57
CYP19A1 P11511 4/20 0.54
EPHX2 P34913 1/20 0.53

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
SCHEMBL14898386 0.98 GBA1 (0.62) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL10078112 0.98 GBA1 (0.62) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL3536027 0.94 CYP19A1 (0.56) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL460417 0.93 HRH4 (0.65) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL18462060 0.93 GBA1 (0.62) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL24675720 0.91 HRH4 (0.66) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL9926319 0.91 GBA1 (0.64) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL15944228 0.91 HRH4 (0.66) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL21959579 0.91 HRH4 (0.66) GBA1HRH4HRH3CYP19A1EPHX2
SCHEMBL14681055 0.91 GBA1 (0.64) GBA1HRH4HRH3CYP19A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 WO disclosed
WO-2021195401-A1 TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS BIOHAVEN THERAPEUTICS LTD. (US) 2021-09-30 WO disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
WO-2021003050-A2 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2021-01-07 WO 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
WO-2020132588-A1 COMBINATION THERAPY OF ARMS AND NATURAL KILLER CELLS KLEO PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed
US-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-01-28 US disclosed
US-10471120-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 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-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
US-20080262200-A1 Triazole Macrocycle Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2008-10-23 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 (12 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-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 GBA1 4570/4885HRH4 1806/4885HRH3 1158/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GBA1 280/4885HRH4 4460/4885HRH3 3972/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GBA1 1017/4885HRH4 4083/4885HRH3 3193/4885
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GBA1 2752/4885HRH4 4334/4885HRH3 3879/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-10471120-B2 Peptidomimetic macrocycles and uses thereof TP53, TP53BP1, MDM2 GBA1 2460/4885HRH4 4471/4885HRH3 4541/4885
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-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same APLNR, SCTR, GIPR GBA1 1277/4885HRH4 1253/4885HRH3 1725/4885
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.