SCHEMBL5020804

SCHEMBL5020804

CCCCc1cn(CCCC)nn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58
GBA1 P04062 11/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CYP19A1 P11511 3/20 0.54
GGPS1 O95749 1/20 0.51
EPHX2 P34913 1/20 0.51

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
SCHEMBL18462060 0.94 GBA1 (0.62) HRH4HRH3GBA1L3MBTL1CYP19A1
SCHEMBL15958720 0.94 HRH4 (0.65) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL5021143 0.93 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL21318217 0.93 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL14681055 0.93 GBA1 (0.64) HRH4HRH3GBA1L3MBTL1CYP19A1
SCHEMBL18163271 0.93 HRH4 (0.66) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL9926319 0.93 GBA1 (0.64) HRH4HRH3GBA1L3MBTL1CYP19A1
SCHEMBL3560938 0.92 L3MBTL1 (0.55) HRH4HRH3GBA1L3MBTL1CYP19A1
SCHEMBL3536027 0.92 CYP19A1 (0.56) HRH4HRH3GBA1CYP19A1EPHX2
SCHEMBL460417 0.91 HRH4 (0.65) HRH4HRH3GBA1CYP19A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091522-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
WO-2021042169-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2021-03-11 WO disclosed
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2020-12-10 US disclosed
US-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA AILERON THERAPEUTICS, INC. 2019-07-25 US 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-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-9789164-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-9790262-B2 Compositions comprising glucagon analogs and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 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
US-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 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 (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-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA HIF1A, HIF1AN, EGLN3 HRH4 1456/4885HRH3 875/4885GBA1 3206/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885GBA1 4570/4885
US-20200384085-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885GBA1 1277/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885GBA1 280/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP HRH4 4083/4885HRH3 3193/4885GBA1 1017/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL HRH4 4179/4885HRH3 4144/4885GBA1 2917/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 HRH4 4334/4885HRH3 3879/4885GBA1 2752/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885GBA1 280/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885GBA1 280/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 HRH4 4246/4885HRH3 3700/4885GBA1 946/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 HRH4 4334/4885HRH3 3879/4885GBA1 2752/4885
US-11091522-B2 Peptidomimetic macrocycles and uses thereof FLT3, BID, GRPR HRH4 3042/4885HRH3 3034/4885GBA1 602/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 HRH4 2338/4885HRH3 1911/4885GBA1 1054/4885

“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.