SCHEMBL9926327

SCHEMBL9926327

CCCc1cn(CCCC(C)C)nn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRB2 P07550 1/20 0.46
GBA1 P04062 11/20 0.45

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
SCHEMBL5021126 0.95 CYP19A1 (0.48) CYP19A1HRH4HRH3ADRB2GBA1
SCHEMBL3542321 0.94 GBA1 (0.49) CYP19A1HRH4HRH3ADRB2GBA1
SCHEMBL12641729 0.94 GBA1 (0.49) CYP19A1HRH4HRH3ADRB2GBA1
SCHEMBL9926315 0.92 HRH4 (0.51) CYP19A1HRH4HRH3GBA1
SCHEMBL20375486 0.91 HRH4 (0.56) CYP19A1HRH4HRH3GBA1
SCHEMBL3533937 0.90 CYP19A1 (0.51) CYP19A1HRH4HRH3ADRB2GBA1
SCHEMBL3434883 0.90 HRH4 (0.45) CYP19A1HRH4HRH3ADRB2GBA1
SCHEMBL3436123 0.90 HRH4 (0.42) HRH4HRH3ADRB2GBA1
SCHEMBL18489327 0.89 HRH4 (0.57) CYP19A1HRH4HRH3GBA1
SCHEMBL10079149 0.89 HRH4 (0.57) CYP19A1HRH4HRH3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20200369728-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2020-11-26 US disclosed
US-10300109-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-9957296-B2 Triazole macrocycle systems AILERON THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-09-21 US disclosed
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES NASH HUW M 2011-10-13 US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 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 (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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 CYP19A1 3353/4885HRH4 3864/4885HRH3 3432/4885
US-20170266254-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, CTNNB1, WNT1 CYP19A1 3554/4885HRH4 1260/4885HRH3 1800/4885
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, WNT1, CTNNB1 CYP19A1 3129/4885HRH4 1310/4885HRH3 2149/4885
US-20200369728-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF NGLY1, BID, DNPEP CYP19A1 2283/4885HRH4 2561/4885HRH3 2159/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 CYP19A1 4772/4885HRH4 4816/4885HRH3 3990/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 CYP19A1 3250/4885HRH4 4246/4885HRH3 3700/4885
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 CYP19A1 2887/4885HRH4 3022/4885HRH3 2281/4885
US-10300109-B2 Peptidomimetic macrocycles TCF4, CTNNB1, WNT1 CYP19A1 3554/4885HRH4 1260/4885HRH3 1800/4885

“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.