SCHEMBL15745489

SCHEMBL15745489

CC(C)CCN(C)CC1CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LSS P48449 1/20 0.30

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
SCHEMBL19049548 0.91 ALOX5 (0.31) PIK3CD
SCHEMBL18233627 0.90 SIGMAR1 (0.37)
SCHEMBL17762870 0.87 LSS (0.34) PIK3CDHTR2AHTR2CHTR2BLSS
SCHEMBL18233580 0.86 PIK3CD (0.47) PIK3CDALDH1A1
SCHEMBL15745488 0.85 LSS (0.36) LSS
SCHEMBL23696157 0.82 PIK3CD (0.37) PIK3CD
SCHEMBL178461 0.81 PIK3CD (0.39) PIK3CD
SCHEMBL17762822 0.80 ALDH1A1 (0.34) PIK3CDALDH1A1
SCHEMBL23842278 0.77 GNAO1 (0.36)
SCHEMBL27322032 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 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-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS PIK3CD 23/4885ALDH1A1 2363/4885HTR2A 1214/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT PIK3CD 3551/4885ALDH1A1 236/4885HTR2A 226/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 PIK3CD 78/4885ALDH1A1 3615/4885HTR2A 3443/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 PIK3CD 78/4885ALDH1A1 3615/4885HTR2A 3443/4885

“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.