SCHEMBL736644

SCHEMBL736644

COc1ccccc1N1CC2(CCNCC2)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
SIGMAR1 Q99720 3/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
HTR3A P46098 1/20 0.47
HTR6 P50406 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TRPV4 Q9HBA0 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
OPRM1 P35372 1/20 0.43
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL11371921 0.82 OPRM1 (0.41) DRD2SIGMAR1DRD3LMNAMAPT
SCHEMBL735835 0.80 NPY5R (0.47) SIGMAR1HTR6TRPV4OPRM1ADRA1A
SCHEMBL737322 0.76 OPRM1 (0.58) SIGMAR1OPRM1ADRA1ACYP2D6USP2
SCHEMBL735135 0.76 SSTR5 (0.46) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL735414 0.76 ADRB1 (0.48) SIGMAR1ADRB1MAPTOPRM1MGLL
Bromide SCHEMBL3031379 0.75 OPRM1 (0.56) SIGMAR1OPRM1ADRA1ACYP2D6USP2
SCHEMBL11362432 0.74 OPRM1 (0.48) SIGMAR1MAPTALDH1A1OPRM1SMN1; SMN2
SCHEMBL736649 0.72 OPRM1 (0.42) SIGMAR1OPRM1ADRA1A
SCHEMBL736627 0.72 CHRNB2 (0.46) TRPV4OPRM1ADRA1A
SCHEMBL736968 0.71 NPY5R (0.49) SIGMAR1TRPV4OPRM1ADRA1A

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 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 (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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 DRD2 107/4885SIGMAR1 11/4885HTR3E 362/4885

“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.