SCHEMBL7083569

SCHEMBL7083569

CCOC(=O)c1ccc(NC(=O)N2CCc3cc(SC)c(C(F)(F)F)cc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.62
HTR2A P28223 15/20 0.62
HTR2B P41595 13/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL7078055 0.90 HTR2C (0.65) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL7082041 0.87 HTR2C (0.68) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL8474495 0.84 HTR2C (0.67) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL8472115 0.83 HTR2C (0.78) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL7041233 0.82 HTR2C (0.71) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL8474911 0.82 HTR2C (0.68) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL24525687 0.82 HTR2C (0.79) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL8476188 0.81 HTR2C (0.59) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL7078054 0.79 HTR2C (0.65) HTR2CHTR2AHTR2BMEN1MAPT
SCHEMBL7078056 0.79 HTR2C (0.67) HTR2CHTR2AHTR2BMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972937-A Heterocyclic compounds possessing 5HT2C receptor antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 1999-10-26 US claimed
WO-1996023769-A2 HETEROCYCLIC COMPOUNDS POSSESSING 5HT2C RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO claimed
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
US-5972937-A Heterocyclic compounds possessing 5HT2C receptor antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 1999-10-26 US disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed
WO-1996023769-A2 HETEROCYCLIC COMPOUNDS POSSESSING 5HT2C RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A HTR2C 2/4885HTR2A 4/4885HTR2B 11/4885

“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.