SCHEMBL7844738

SCHEMBL7844738

CCCCNC(=O)c1ccc(N(C)C[C@@H](c2ccccc2)N2CC[C@H](O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NAAA Q02083 1/20 0.41
CYP2D6 P10635 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
DRD4 P21917 4/20 0.39
CHRM4 P08173 1/20 0.39
NAMPT P43490 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 1/20 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
SCHEMBL6981720 0.97 NAAA (0.45) OPRK1ALDH1A1MAPTTSHRKMT2A
SCHEMBL7838464 0.94 OPRK1 (0.43) OPRK1ALDH1A1MAPTTSHRCYP2D6
SCHEMBL8506648 0.93 OPRK1 (0.44) OPRK1ALDH1A1MAPTTSHRKMT2A
SCHEMBL8507116 0.91 OPRD1 (0.47) OPRK1MAPTCYP2D6OPRM1OPRD1
SCHEMBL8508021 0.86 OPRK1 (0.43) OPRK1MAPTCYP2D6OPRM1OPRD1
SCHEMBL8584059 0.86 PDE5A (0.38) OPRK1ALDH1A1MAPTTSHRKMT2A
SCHEMBL8585443 0.85 CHRM4 (0.40) ALDH1A1MAPTTSHROPRM1OPRD1
SCHEMBL8506208 0.85 CHRM4 (0.40) ALDH1A1MAPTTSHROPRM1OPRD1
SCHEMBL8508759 0.85 CHRM4 (0.40) ALDH1A1MAPTTSHROPRM1OPRD1
SCHEMBL8507683 0.85 CHRM4 (0.40) ALDH1A1MAPTTSHROPRM1OPRD1

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
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP claimed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO claimed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 US disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 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 (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-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 OPRK1 3/4885ALDH1A1 842/4885MAPT 1579/4885

“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.