SCHEMBL6746146

SCHEMBL6746146

CC1CC(=O)N(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
BRD4 O60885 3/20 0.46
NOTUM Q6P988 1/20 0.45
BRPF1 P55201 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL31469975 1.00 OPRM1 (0.50) OPRM1OPRK1OPRL1BRD4NOTUM
SCHEMBL14075307 0.82 BRD4 (0.44) OPRM1OPRK1OPRL1BRD4BRPF1
SCHEMBL14075302 0.82 NOTUM (0.42) OPRM1OPRK1OPRL1BRD4NOTUM
SCHEMBL28230741 0.80 OPRM1 (0.49) OPRM1OPRK1OPRL1BRD4NOTUM
SCHEMBL19953762 0.80 ALDH1A1 (0.46) BRD4NOTUMBRPF1TSHRKMT2A
SCHEMBL20335486 0.78 ALDH1A1 (0.48) OPRM1OPRK1OPRL1NOTUMTSHR
SCHEMBL19953668 0.78 HDAC4 (0.43) BRD4NOTUMBRPF1TSHRKMT2A
SCHEMBL30746803 0.77 TSHR (0.65) OPRM1BRD4BRPF1TSHRKMT2A
SCHEMBL4989074 0.77 TSHR (0.65) OPRM1BRD4BRPF1TSHRKMT2A
SCHEMBL6264071 0.77 OPRM1 (0.44) OPRM1OPRK1OPRL1BRD4NOTUM

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
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
EP-0409435-B1 Heteroaryl piperazine antipsychotic agents PFIZER (US) 1994-10-26 EP disclosed
US-5350747-A Heteroaryl piperazine antipsychotic agents PFIZER INC (US) 1994-09-27 US disclosed
WO-1991000863-A1 HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1991-01-24 WO disclosed
EP-0409435-A1 Heteroaryl piperazine antipsychotic agents PFIZER INC. (US) 1991-01-23 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 (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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 OPRM1 15/4885OPRK1 19/4885OPRL1 39/4885

“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.