SCHEMBL7078055

SCHEMBL7078055

CCOC(=O)c1cccc(NC(=O)N2CCc3cc(SC)c(C(F)(F)F)cc32)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.65
HTR2A P28223 14/20 0.65
HTR2B P41595 10/20 0.65
CYP1A2 P05177 5/20 0.64
MAPT P10636 3/20 0.64
MEN1 O00255 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
POLB P06746 2/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
SLC2A1 P11166 1/20 0.49

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
SCHEMBL7083569 0.90 HTR2C (0.62) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL7078072 0.87 HTR2C (0.71) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8474911 0.87 HTR2C (0.68) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8472378 0.84 HTR2C (0.64) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8472920 0.83 HTR2C (0.66) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8472115 0.83 HTR2C (0.78) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8476174 0.83 HTR2C (0.70) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8476123 0.82 HTR2C (0.62) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL7042712 0.82 HTR2C (0.77) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL8472170 0.82 HTR2C (0.69) HTR2CHTR2AHTR2BCYP1A2MAPT

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 12 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
EP-0807104-A2 HETEROCYCLIC COMPOUNDS POSSESSING 5HT 2C? RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-11-19 EP 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
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
EP-0807104-A2 HETEROCYCLIC COMPOUNDS POSSESSING 5HT 2C? RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-11-19 EP 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.