SCHEMBL4099767

SCHEMBL4099767

C[C@@H]1CN([C@H](C)c2ccccc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
MC4R P32245 1/20 0.50
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
OPRD1 P41143 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A4 P31645 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
SCHEMBL13724342 1.00 CYP2D6 (0.56) CYP2D6MC4RCHRM2CHRM1MEN1
SCHEMBL4096152 1.00 CYP2D6 (0.56) CYP2D6MC4RCHRM2CHRM1MEN1
SCHEMBL2315253 0.85 MEN1 (0.58) CYP2D6CHRM2CHRM1MEN1KMT2A
SCHEMBL4146000 0.85 MEN1 (0.58) CYP2D6CHRM2CHRM1MEN1KMT2A
SCHEMBL2537196 0.85 MEN1 (0.58) CYP2D6CHRM2CHRM1MEN1KMT2A
SCHEMBL4088775 0.84 HRH3 (0.48) CYP2D6CHRM2CHRM1OPRM1HRH3
SCHEMBL3877345 0.84 HRH3 (0.48) CYP2D6CHRM2CHRM1OPRM1HRH3
SCHEMBL4505701 0.84 HRH3 (0.48) CYP2D6CHRM2CHRM1OPRM1HRH3
SCHEMBL3662445 0.82 MEN1 (0.42) CYP2D6MEN1KMT2AOPRM1OPRL1
SCHEMBL27664992 0.82 HRH3 (0.44) CYP2D6MEN1KMT2AOPRM1OPRL1

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT CYP2D6 87/4885MC4R 4200/4885CHRM2 3665/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 CYP2D6 3434/4885MC4R 2976/4885CHRM2 3602/4885

“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.