SCHEMBL22491406

SCHEMBL22491406

Fc1ccc(C(=C2CCNCC2)c2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 14/20 0.49
▸ OPRM1 P35372 12/20 0.49
▸ OPRK1 P41145 4/20 0.49
▸ KCNH2 Q12809 3/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ HTR2A P28223 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ SETD7 Q8WTS6 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 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
SCHEMBL22491486 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL8314711 0.81 OPRD1 (0.58) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL2457390 0.80 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL10600734 0.80 OPRD1 (0.57) OPRD1OPRM1OPRK1KCNH2ABCB11
Bromide SCHEMBL10598951 0.79 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL7647391 0.79 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL22491496 0.78 FNTA (0.47) OPRD1OPRM1OPRK1KCNH2HTR2A
SCHEMBL9434960 0.76 OPRD1 (0.57) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL10602417 0.75 OPRD1 (0.50) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL8316576 0.74 OPRD1 (0.60) OPRD1OPRM1OPRK1KCNH2ABCB11

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-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY OPRD1 1395/4885OPRM1 549/4885OPRK1 1592/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY OPRD1 1395/4885OPRM1 549/4885OPRK1 1592/4885

“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.

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