SCHEMBL5460348

SCHEMBL5460348

Cc1ccc(C2(O)CCNCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
OPRM1 P35372 3/20 0.32
DAO P14920 1/20 0.31
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30

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
SCHEMBL19507038 0.86 HCAR3 (0.37) HCAR3HCAR2OPRM1DAO
SCHEMBL23878712 0.82 HCAR3 (0.35) HCAR3HCAR2DAO
SCHEMBL2273108 0.78 DRD2 (0.50) DRD2SIGMAR1HCAR3HCAR2OPRM1
SCHEMBL9528058 0.69 OPRM1 (0.39) DRD2SIGMAR1HCAR3HCAR2OPRM1
SCHEMBL1401191 0.68 OPRM1 (0.50) DRD2SIGMAR1OPRM1
SCHEMBL5696483 0.68 DRD2 (0.36) DRD2SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL9528146 0.68 OPRM1 (0.38) DRD2SIGMAR1HCAR3HCAR2OPRM1
SCHEMBL5460312 0.68 DRD2 (0.36) DRD2SIGMAR1OPRM1
SCHEMBL613058 0.67 DRD2 (0.66) DRD2SIGMAR1OPRM1GABRDGABRA1
SCHEMBL17438743 0.66 OPRM1 (0.31) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185168-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-09 US disclosed
EP-1736474-A1 PIPERIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-12-27 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-20070185168-A1 Piperidine derivatives GRIN2C, GRIN1, GRIN3A DRD2 96/4885SIGMAR1 134/4885HCAR3 89/4885

“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.