SCHEMBL4492625

SCHEMBL4492625

Cc1cc(NCc2ccccc2)cc2c1N(C)CC1CNCC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRA2A P08913 2/20 0.37
OPRD1 P41143 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.32
MC4R P32245 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTR2C P28335 1/20 0.32
CDK7 P50613 1/20 0.32
DRD1 P21728 2/20 0.32

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
SCHEMBL13627337 1.00 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ADRA2A
SCHEMBL4472029 0.84 BPTF (0.33) CHRNB4CHRNA3OPRD1OPRM1OPRK1
SCHEMBL13627330 0.84 BPTF (0.33) CHRNB4CHRNA3OPRD1OPRM1OPRK1
SCHEMBL13627340 0.83 GAA (0.38) GAAHTR2CHTR2A
SCHEMBL5955674 0.83 GAA (0.38) GAAHTR2CHTR2A
SCHEMBL4473034 0.83 GAA (0.38) GAAHTR2CHTR2A
SCHEMBL4481959 0.81 P2RX7 (0.39) HTTGAAHTR2C
SCHEMBL13627341 0.81 P2RX7 (0.39) HTTGAAHTR2C
SCHEMBL4241541 0.81 P2RX7 (0.39) HTTGAAHTR2C
SCHEMBL3131283 0.77 GRIN2D (0.40) CHRNB2CHRNB4CHRNA3CHRNA4OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US claimed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US claimed
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B CHRNB2 929/4885CHRNB4 701/4885CHRNA3 250/4885

“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.