SCHEMBL22169010

SCHEMBL22169010

CCCCC(C)(CCC)c1cncnc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33

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
SCHEMBL18382253 0.96 CYP19A1 (0.38) CYP19A1ESR1ESR2
SCHEMBL19251062 0.93 CNR2 (0.36) CYP19A1ESR1ESR2
SCHEMBL18909511 0.92 CYP19A1 (0.36) CYP19A1ESR1ESR2
SCHEMBL20733699 0.92 CYP19A1 (0.40) CYP19A1ESR1ESR2
SCHEMBL18852713 0.91 CNR2 (0.37) CYP19A1ESR1ESR2
SCHEMBL18721019 0.91 CNR2 (0.37) CYP19A1ESR1ESR2
SCHEMBL22007446 0.90 CYP19A1 (0.37) CYP19A1
SCHEMBL19251185 0.89 CNR2 (0.38) CYP19A1
SCHEMBL19251056 0.89 CNR2 (0.38) CYP19A1
SCHEMBL18935500 0.89 CNR2 (0.38) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11028068-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-06-08 US disclosed
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-07-02 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-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS CYP19A1 1126/4885ESR1 1800/4885ESR2 2576/4885
US-20200207737-A1 SOMATASTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 CYP19A1 2569/4885ESR1 3448/4885ESR2 2029/4885
US-11028068-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 CYP19A1 1345/4885ESR1 1952/4885ESR2 635/4885

“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.