SCHEMBL101657

SCHEMBL101657

Cc1nc(-c2ccc([C@H]3CN([C@H](C)c4ccccc4)CCO3)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.47
DRD2 P14416 1/20 0.47
KCNH2 Q12809 1/20 0.47
BRD4 O60885 2/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX3 P56373 4/20 0.38
LTA4H P09960 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL135512 1.00 DRD3 (0.47) DRD3DRD2KCNH2BRD4CYP3A4
SCHEMBL2119686 0.91 DRD3 (0.42) DRD3DRD2KCNH2BRD4CYP3A4
SCHEMBL2114930 0.91 DRD3 (0.42) DRD3DRD2KCNH2BRD4CYP3A4
SCHEMBL2291288 0.77 CYP2D6 (0.45) DRD3KCNH2CYP2C19LTA4HTDP1
SCHEMBL2295242 0.77 CYP2D6 (0.45) DRD3BRD4CYP3A4CYP2C19LTA4H
SCHEMBL83704 0.77 CYP2D6 (0.45) DRD3BRD4CYP3A4CYP2C19LTA4H
SCHEMBL2290318 0.77 CYP2D6 (0.45) DRD3KCNH2CYP2C19LTA4HTDP1
SCHEMBL82176 0.77 CYP2D6 (0.45) DRD3BRD4CYP3A4CYP2C19LTA4H
SCHEMBL2294555 0.77 CHRM2 (0.45) DRD3BRD4CYP3A4CYP2C9CYP2C19
SCHEMBL2295583 0.77 CHRM2 (0.45) DRD3BRD4CYP3A4CYP2C9CYP2C19

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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 DRD3 437/4885DRD2 183/4885KCNH2 1234/4885

“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.