Sugi Predict

Sugi Predict / Compounds / SCHEMBL3563764

SCHEMBL3563764

SCHEMBL3563764

COc1ccccc1Nc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC(OC(=O)C(F)(F)F)[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.45
▸ HTR2A P28223 8/20 0.45
▸ HTR2B P41595 8/20 0.45
▸ SMO Q99835 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL3557538 0.91 HTR2A (0.42) HTR2CHTR2AHTR2BLMNAALDH1A1
SCHEMBL3559146 0.85 HTR2C (0.42) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3559284 0.82 HTR2C (0.41) HTR2CHTR2AHTR2BLMNAALDH1A1
SCHEMBL3555431 0.82 HTR2C (0.51) HTR2CHTR2AHTR2B
SCHEMBL3561606 0.81 HTR2C (0.43) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3552909 0.80 HTR2C (0.50) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3563763 0.79 HTR2C (0.58) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118845 0.78 HTR2C (0.63) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3563174 0.77 HTR2A (0.56) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3556083 0.75 HTR2C (0.46) HTR2CHTR2AHTR2BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 — — EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 — — US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 — — US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 — — EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 — — WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 — — 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 (2 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A HTR2C 5/4885HTR2A 3/4885HTR2B 4/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2C 6/4885HTR2A 4/4885HTR2B 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.