Sugi Predict

Sugi Predict / Compounds / SCHEMBL6490908

SCHEMBL6490908

SCHEMBL6490908

Fc1cccc(F)c1CNc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.44
▸ HTR2A P28223 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ CCNT1 O60563 3/20 0.35
▸ CDK9 P50750 3/20 0.35
▸ KCNK3 O14649 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ STAT6 P42226 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL6785096 0.93 HTR2C (0.40) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6492814 0.90 HTR2C (0.41) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6493369 0.90 HTR2C (0.38) HTR2CHTR2AHTR2BKCNK3ALDH1A1
SCHEMBL6502245 0.88 HTR2C (0.39) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6783689 0.86 HTR2C (0.37) HTR2CHTR2AHTR2BALDH1A1GAA
SCHEMBL6492420 0.86 HTR2C (0.46) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6492557 0.85 HTR2C (0.49) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6785120 0.84 HTR2C (0.40) HTR2CHTR2AHTR2BGAA
SCHEMBL6783840 0.84 HTR2C (0.43) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL6789837 0.83 GAA (0.42) HTR2CHTR2AHTR2BGAASTAT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 — — 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-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 — — 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 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885
US-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 HTR2C 3123/4885HTR2A 2052/4885HTR2B 2461/4885

“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.