SCHEMBL7044526

SCHEMBL7044526

CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 1.00
HTR2B P41595 16/20 1.00
HTR2A P28223 16/20 1.00
CYP1A2 P05177 12/20 1.00
CYP2D6 P10635 2/20 0.81
CYP2C9 P11712 2/20 0.81
KDM4E B2RXH2 1/20 0.81
MEN1 O00255 1/20 0.81
GMNN O75496 1/20 0.81
LMNA P02545 1/20 0.81
TP53 P04637 1/20 0.81
CYP3A4 P08684 1/20 0.81
MAPT P10636 1/20 0.81
ALOX15 P16050 1/20 0.81
TSHR P16473 1/20 0.81
NFKB1 P19838 1/20 0.81
CYP2C19 P33261 1/20 0.81
THPO P40225 1/20 0.81
BLM P54132 1/20 0.81
PMP22 Q01453 1/20 0.81

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
SCHEMBL7041275 0.90 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL29766793 0.90 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7042732 0.90 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7042574 0.89 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7040476 0.88 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7042693 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7635338 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7362463 0.84 HTR2C (0.91) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7039444 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2CYP2D6
SCHEMBL7036391 0.83 HTR2C (0.84) HTR2CHTR2BHTR2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US claimed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP claimed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO claimed
US-6638953-B2 Central nervous system disorders; anxiety SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-28 US disclosed
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
WO-2003011281-A1 TREATMENT OF ATTENTION DEFICIT HYPERACTIVITY DISORDER OR ATTENTION DEFICIT DISORDER VERNALIS RESEARCH LIMITED (GB) 2003-02-13 WO 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
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST 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 2/4885HTR2B 11/4885HTR2A 4/4885

“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.