SCHEMBL7083408

SCHEMBL7083408

CC(=O)N1CCc2cc(SSc3cc4c(cc3C(F)(F)F)N(C(C)=O)CC4)c(C(F)(F)F)cc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.57
HTR2C P28335 7/20 0.49
HTR2A P28223 6/20 0.49
HTR2B P41595 5/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP11B2 P19099 2/20 0.43

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
SCHEMBL7086213 0.90 HTR2C (0.59) NOTUMHTR2CHTR2AHTR2BMEN1
SCHEMBL7479611 0.83 NOTUM (0.59) NOTUMHTR2CHTR2AHTR2BPOLB
SCHEMBL7373998 0.83 NOTUM (0.59) NOTUMHTR2CHTR2AHTR2BPOLB
SCHEMBL30038539 0.81 HTR2C (0.58) NOTUMHTR2CHTR2AHTR2BCYP1A2
SCHEMBL8801280 0.80 NOTUM (0.50) NOTUMPOLBRXFP1KDM4EALDH1A1
SCHEMBL7981950 0.80 HTR2C (0.59) NOTUMHTR2CHTR2AHTR2BMEN1
SCHEMBL8785820 0.78 NOTUM (0.51) NOTUMHTR2CHTR2AMAPTKDM4E
SCHEMBL8130919 0.76 NOTUM (0.54) NOTUMMAPTPOLBRXFP1KDM4E
SCHEMBL7477945 0.75 NOTUM (0.50) NOTUMHTR2CHTR2AHTR2BCYP1A2
SCHEMBL30038606 0.72 NOTUM (0.78) NOTUMHTR2CHTR2AALDH1A1

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-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-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 NOTUM 3981/4885HTR2C 2/4885HTR2A 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.