SCHEMBL3759932

SCHEMBL3759932

C=CCN1CCC(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD2 P14416 6/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 2/20 0.41
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
ADRA1B P35368 1/20 0.40
IDO1 P14902 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL5505308 0.93 ADRA2A (0.48) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL2783386 0.89 ADRA2A (0.48) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL3768142 0.86 ADRA2A (0.48) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL3774468 0.86 OPRL1 (0.43) ADRA2AADRA2BADRA2CDRD2SIGMAR1
SCHEMBL2785541 0.86 ADRA2A (0.48) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL3764528 0.86 ADRA2A (0.48) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL2782945 0.82 RBP4 (0.41) ADRA2AADRA2BADRA2CHTR2CSIGMAR1
SCHEMBL2782554 0.82 ADRA2A (0.45) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL2781919 0.82 DRD2 (0.48) ADRA2AADRA2BADRA2CDRD2HTR1A
SCHEMBL2783875 0.82 ADRA2A (0.45) ADRA2AADRA2BADRA2CDRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US claimed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP claimed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US claimed
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 ADRA2A 49/4885ADRA2B 78/4885ADRA2C 36/4885

“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.