SCHEMBL3947334

SCHEMBL3947334

C=CCOC(=O)N1CC(O)C2NCCC21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CHRM1 P11229 1/20 0.31
FAAH O00519 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
SCHEMBL4215633 0.73 CHRM2 (0.42) CHRM1
SCHEMBL4191884 0.73 CHRM2 (0.42) CHRM1
SCHEMBL4037913 0.72 CYP19A1 (0.35) CYP19A1SIGMAR1CHRM1FAAH
SCHEMBL4043275 0.69 CYP19A1 (0.34) CYP19A1SIGMAR1
SCHEMBL28339063 0.68 RAB9A (0.38) CYP19A1SIGMAR1CHRM1FAAH
SCHEMBL15322317 0.67 RAB9A (0.39) CYP19A1SIGMAR1CHRM1
SCHEMBL2980833 0.67 SIGMAR1 (0.41) CYP19A1SIGMAR1CHRM1FAAH
SCHEMBL6235471 0.67 CYP19A1 (0.31) CYP19A1CHRM1FAAH
SCHEMBL15996086 0.66 ALDH1A1 (0.33) CYP19A1
SCHEMBL14458907 0.66 ALDH1A1 (0.38) CYP19A1SIGMAR1CHRM1

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
EP-2051966-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE Pfizer Products Inc. (US) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CYP19A1 1136/4885SIGMAR1 958/4885CHRM1 364/4885

“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.