SCHEMBL21264045

SCHEMBL21264045

Cc1ccc(C23CCN(CC2)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
KMT2A Q03164 1/20 0.41
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL22996210 0.92 SIGMAR1 (0.39) OPRM1KMT2AOPRD1OPRK1OPRL1
SCHEMBL6577320 0.77 OPRM1 (0.42) OPRM1
SCHEMBL8415516 0.77 ALDH1A1 (0.47) KMT2AOPRK1TDP1
SCHEMBL21247952 0.77 OPRM1 (0.38) OPRM1KMT2AOPRD1OPRK1OPRL1
SCHEMBL348028 0.76 PNMT (0.54) OPRM1MAOBMAOAOPRD1OPRK1
SCHEMBL21935248 0.73 ACHE (0.59) MAOBMAOAACHE
SCHEMBL8747847 0.73 MAOB (0.38) OPRM1KMT2AMAOBMAOAOPRD1
SCHEMBL8747865 0.73 OPRM1 (0.41) OPRM1KMT2AMAOBMAOAOPRD1
SCHEMBL22918208 0.71 HPGD (0.39) KMT2A
SCHEMBL22996217 0.71 OPRM1 (0.34) OPRM1KMT2AOPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US disclosed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 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 (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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 OPRM1 259/4885KMT2A 3831/4885MAOB 3403/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 OPRM1 259/4885KMT2A 3831/4885MAOB 3403/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 OPRM1 65/4885KMT2A 4353/4885MAOB 2241/4885

“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.