Sugi Predict

Sugi Predict / Compounds / SCHEMBL4480129

SCHEMBL4480129

SCHEMBL4480129

COc1ccc(-c2cc(C)c3c(c2)C2CNCC2CN3)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ CDK1 P06493 2/20 0.31
▸ MAPKAPK2 P49137 2/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL4476756 1.00 HTR2C (0.33) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL13627328 1.00 HTR2C (0.33) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4486316 0.91 CYP1A1 (0.35) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL13627320 0.91 CYP1A1 (0.35) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4479389 0.91 CYP1A1 (0.35) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL4469750 0.78 HTR2C (0.42) HTR2CCHRNB2CHRNA4
SCHEMBL13627329 0.78 HTR2C (0.42) HTR2CCHRNB2CHRNA4
SCHEMBL4483043 0.76 HTR2C (0.33) HTR2CHTR2AHTR2BCHRNA4CHRNA7
SCHEMBL13627326 0.76 HTR2C (0.33) HTR2CHTR2AHTR2BCHRNA4CHRNA7
SCHEMBL4482328 0.74 TRPA1 (0.42) HTR2CHTR2AHTR2B

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 3 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

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 HTR2C 2/4885HTR2A 8/4885HTR2B 3/4885

“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.