SCHEMBL10079147

SCHEMBL10079147

CCCCCCCc1cn(CCC(C)C)nn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.56
HRH4 Q9H3N8 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
GBA1 P04062 6/20 0.51
EPHX2 P34913 1/20 0.50
GGPS1 O95749 2/20 0.48

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
SCHEMBL19224588 1.00 CYP19A1 (0.56) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL18757279 1.00 CYP19A1 (0.56) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL10299507 0.98 HRH4 (0.54) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL10312474 0.94 HRH4 (0.49) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL10079149 0.93 HRH4 (0.57) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL18489327 0.93 HRH4 (0.57) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL18489275 0.91 HRH4 (0.56) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL19479091 0.91 HRH4 (0.56) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL22762136 0.91 HRH4 (0.56) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL18494157 0.91 HRH4 (0.56) CYP19A1HRH4HRH3GBA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399405-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2013-03-19 US disclosed
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-05 US disclosed
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 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 (4 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 CYP19A1 1614/4885HRH4 1851/4885HRH3 2016/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 CYP19A1 2887/4885HRH4 3022/4885HRH3 2281/4885
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 CYP19A1 3811/4885HRH4 4334/4885HRH3 3879/4885

“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.