Sugi Predict

Sugi Predict / Compounds / SCHEMBL6503159

SCHEMBL6503159

SCHEMBL6503159

COc1ccc(-c2cc3c4c(c2)C2CN(C(=O)OC(C)(C)C)CCC2N4CCOC3)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ EPHX2 P34913 2/20 0.44
▸ LMNA P02545 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ STS P08842 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ PROKR1 Q8TCW9 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL5847795 0.90 HTR2A (0.59) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL5848217 0.89 HTR2A (0.66) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL5416044 0.89 HTR2A (0.66) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL5637496 0.88 HTR2A (0.47) HTR2AHTR2CHTR2BEPHX2LMNA
SCHEMBL5847212 0.88 HTR2A (0.63) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL6783090 0.88 HTR2A (0.40) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL5848068 0.86 HTR2A (0.65) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL5637216 0.85 HTR2A (0.49) HTR2AHTR2CHTR2BEPHX2LMNA
SCHEMBL5636515 0.83 HTR2A (0.46) HTR2AHTR2CHTR2BEPHX2GPR119
SCHEMBL5847472 0.82 HTR2A (0.49) HTR2AHTR2CHTR2BEPHX2GPR119

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-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 — — US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 — — US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 — — US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 — — US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 — — 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 (3 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885HTR2B 5/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885HTR2B 5/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT HTR2A 28/4885HTR2C 29/4885HTR2B 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.