SCHEMBL18503025

SCHEMBL18503025

CCN(CC)c1ccc(C(C)C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.43
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP3A4 P08684 2/20 0.36
CASR P41180 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
SCHEMBL20201878 0.85 CRHR1 (0.40) CRHR1HSP90AA1HSP90AB1CASR
SCHEMBL24170751 0.84 CRHR1 (0.38) CRHR1HSP90AA1HSP90AB1
SCHEMBL21917556 0.83 CYP3A4 (0.33) CRHR1CYP3A4
SCHEMBL18175188 0.82 CYP3A4 (0.37) CRHR1CYP3A4
SCHEMBL12889911 0.79 CRHR1 (0.43) CRHR1HSP90AA1HSP90AB1CASR
SCHEMBL14268227 0.79 LMNA (0.38) CRHR1
SCHEMBL12015800 0.77 CRHR1 (0.42) CRHR1HSP90AA1HSP90AB1CASR
SCHEMBL19726453 0.76 CRHR1 (0.42) CRHR1HSP90AA1HSP90AB1
SCHEMBL5716046 0.76 CYP3A4 (0.46) CYP3A4
SCHEMBL18503027 0.75 ACHE (0.41) CRHR1

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-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2021-08-03 US disclosed
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto UNIV EMORY (US) 2020-03-19 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 US disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 US disclosed
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-16 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-11077120-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGES CRHR1 485/4885HSP90AA1 1778/4885HSP90AB1 2115/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 CRHR1 397/4885HSP90AA1 1602/4885HSP90AB1 2090/4885
US-20200085837-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 CRHR1 397/4885HSP90AA1 1602/4885HSP90AB1 2090/4885
US-20170042905-A1 Prostaglandin Receptor EP2 Antagonists, Derivatives, Compositions, and Uses Related Thereto PTGER2, PTGES2, PTGER1 CRHR1 397/4885HSP90AA1 1602/4885HSP90AB1 2090/4885

“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.