SCHEMBL20187374

SCHEMBL20187374

Cn1nccc1[C@@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.45
CHRM2 P08172 5/20 0.45
CHRM5 P08912 5/20 0.45
CHRM3 P20309 5/20 0.45
CHRM4 P08173 4/20 0.45
CHRM1 P11229 4/20 0.45
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNA7 P36544 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MEN1 O00255 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL174625 1.00 CREBBP (0.45) CREBBPCHRM2CHRM5CHRM3CHRM4
SCHEMBL20449178 0.95 CHRNB2 (0.46) CREBBPCHRM2CHRM5CHRM3CHRM4
SCHEMBL25913868 0.95 CHRNB2 (0.46) CREBBPCHRM2CHRM5CHRM3CHRM4
SCHEMBL9592064 0.79 HCAR2 (0.35) CREBBP
SCHEMBL16600472 0.78 CREBBP (0.45) CREBBPCHRM2CHRM5CHRM3CHRM4
SCHEMBL23323168 0.77 GAA (0.54) CREBBPCHRM2CHRM5CHRM3CHRM4
SCHEMBL24363809 0.76 HCAR2 (0.35)
SCHEMBL22473301 0.76 MPO (0.35)
SCHEMBL22473550 0.76 MPO (0.35)
SCHEMBL22473331 0.76 CHRNA7 (0.32) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 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 (2 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 CREBBP 1601/4885CHRM2 145/4885CHRM5 134/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 CREBBP 1601/4885CHRM2 145/4885CHRM5 134/4885

“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.