SCHEMBL3695237

SCHEMBL3695237

C[C@H](N)c1cc2cccc(Cl)c2c(CCN2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
CYP2A13 Q16696 2/20 0.39
AVPR1B P47901 5/20 0.37
CXCR4 P61073 1/20 0.36
CNR1 P21554 1/20 0.36
LCK P06239 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL4535138 1.00 SIGMAR1 (0.41) SIGMAR1CYP2A13AVPR1BCXCR4CNR1
SCHEMBL4542426 0.80 SIGMAR1 (0.43) SIGMAR1CYP2A13CXCR4CNR1LCK
SCHEMBL4569391 0.79 PIK3CD (0.42) AVPR1BLCKPIK3CDPIK3R2PIK3CG
SCHEMBL16269981 0.79 PIK3CD (0.38) AVPR1BLCKPIK3CDPIK3R2PIK3CG
SCHEMBL16412325 0.78 AVPR1B (0.39) AVPR1BCNR1PIK3CDPIK3R2PIK3CG
SCHEMBL3696680 0.78 PIK3CD (0.48) PIK3CDPIK3R2PIK3CG
SCHEMBL14329176 0.78 PIK3CD (0.47) PIK3CDPIK3R2PIK3CG
SCHEMBL4569302 0.78 PIK3CD (0.47) PIK3CDPIK3R2PIK3CG
SCHEMBL3696676 0.78 PIK3CD (0.48) PIK3CDPIK3R2PIK3CG
SCHEMBL4569351 0.78 CYP2A13 (0.38) SIGMAR1CYP2A13AVPR1BCXCR4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
EP-2734520-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-09-14 EP disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (3 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SIGMAR1 2584/4885CYP2A13 2517/4885AVPR1B 4369/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SIGMAR1 2584/4885CYP2A13 2517/4885AVPR1B 4369/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SIGMAR1 2584/4885CYP2A13 2517/4885AVPR1B 4369/4885

“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.