SCHEMBL3550825

SCHEMBL3550825

CCCCCCn1cc(CC)nn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.58
SMPD1 P17405 4/20 0.53
HRH4 Q9H3N8 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
EPHX2 P34913 1/20 0.50

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
SCHEMBL19604902 1.00 GBA1 (0.58) GBA1SMPD1HRH4HRH3EPHX2
SCHEMBL21555593 1.00 GBA1 (0.58) GBA1SMPD1HRH4HRH3EPHX2
SCHEMBL5021078 0.98 GBA1 (0.56) GBA1SMPD1HRH4HRH3EPHX2
SCHEMBL12299383 0.94 GBA1 (0.51) GBA1SMPD1HRH4HRH3
SCHEMBL12299387 0.94 GBA1 (0.51) GBA1SMPD1HRH4HRH3
SCHEMBL3535989 0.92 GBA1 (0.50) GBA1HRH4HRH3
SCHEMBL24675720 0.87 HRH4 (0.66) GBA1HRH4HRH3EPHX2
SCHEMBL10078112 0.87 GBA1 (0.62) GBA1SMPD1HRH4HRH3EPHX2
SCHEMBL21959579 0.87 HRH4 (0.66) GBA1HRH4HRH3EPHX2
SCHEMBL15944228 0.87 HRH4 (0.66) GBA1HRH4HRH3EPHX2

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 71 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
WO-2023208928-A1 DOSAGE OF PSMA-LIGANDS FOR FLUORESCENCE BASED DETECTION OF CANCEROUS TISSUE Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2023-11-02 WO disclosed
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
WO-2020225322-A1 ARGININE-BASED ANTIBACTERIAL POLYMERS WITH UCST PROPERTY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-12 WO disclosed
EP-3736304-A1 ARGININE-BASED ANTIBACTERIAL POLYMERS WITH UCST PROPERTY Centre National de la Recherche Scientifique (FR) 2020-11-11 EP disclosed
WO-2020112868-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
EP-3301108-A1 TRIAZOLE MACROCYCLE SYSTEMS Aileron Therapeutics, Inc. (US) 2018-04-04 EP disclosed
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 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-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-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 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 (13 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 669/4885SMPD1 2331/4885HRH4 1851/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GBA1 280/4885SMPD1 1657/4885HRH4 4460/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GBA1 4570/4885SMPD1 4863/4885HRH4 1806/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GBA1 1017/4885SMPD1 1331/4885HRH4 4083/4885
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GBA1 4570/4885SMPD1 4863/4885HRH4 1806/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL GBA1 2917/4885SMPD1 3929/4885HRH4 4179/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GBA1 2752/4885SMPD1 4018/4885HRH4 4334/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GBA1 280/4885SMPD1 1657/4885HRH4 4460/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP GBA1 280/4885SMPD1 1657/4885HRH4 4460/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 GBA1 946/4885SMPD1 2921/4885HRH4 4246/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GBA1 2876/4885SMPD1 2742/4885HRH4 3022/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GBA1 1054/4885SMPD1 3045/4885HRH4 2338/4885
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885SMPD1 2331/4885HRH4 1851/4885

“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.