SCHEMBL11225842

SCHEMBL11225842

CC1OC2(CCNCC2)CN(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.51
SIGMAR1 Q99720 14/20 0.51
KCNH2 Q12809 11/20 0.39

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
SCHEMBL11232475 0.80 SIGMAR1 (0.54) OPRM1SIGMAR1KCNH2
SCHEMBL11229423 0.80 SIGMAR1 (0.55) OPRM1SIGMAR1KCNH2
SCHEMBL20555604 0.75 SIGMAR1 (0.56) OPRM1SIGMAR1KCNH2
SCHEMBL17318950 0.75 SIGMAR1 (0.62) OPRM1SIGMAR1KCNH2
SCHEMBL18785069 0.75 SIGMAR1 (0.50) OPRM1SIGMAR1KCNH2
SCHEMBL18785461 0.75 SIGMAR1 (0.50) OPRM1SIGMAR1KCNH2
SCHEMBL18785457 0.75 SIGMAR1 (0.50) OPRM1SIGMAR1KCNH2
SCHEMBL18785077 0.75 SIGMAR1 (0.50) OPRM1SIGMAR1KCNH2
SCHEMBL4458414 0.72 CHRNA7 (0.38) OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL3041445 0.70 CHRNA7 (0.37) SIGMAR1

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 EP disclosed
US-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed
US-4353900-A HYPOTENSIVE, ANTIARRHYTHMIA, CARDIOTONIC, VASODILATORS SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed
EP-0061333-A1 9-(2-(3-Indolyl)ethyl)-1-oxa-4,9-diazaspiro(5.5)undecan-3-ones SYNTEX (U.S.A.) INC. (US) 1982-09-29 EP disclosed
US-4332804-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIA, MIGRAINE, VASOSPASTIC DISORDERS AND ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-06-01 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 (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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 OPRM1 3589/4885SIGMAR1 4407/4885KCNH2 3922/4885

“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.