SCHEMBL7079658

SCHEMBL7079658

CSc1cc2c(cc1C(F)(F)F)NCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.48
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
S1PR1 P21453 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ADRA2A P08913 1/20 0.30
ADRA2B P18089 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
Hydrochloric Acid SCHEMBL7376965 0.98 AR (0.47) ARHTR2AHTR2CHTR2BMAPT
SCHEMBL7078973 0.87 AR (0.49) ARHTR2AHTR2CHTR2BMAPT
SCHEMBL7085798 0.80 AR (0.44) ARMAPTALDH1A1DRD2DRD4
SCHEMBL3237859 0.78 DRD2 (0.38) ARHTR2AHTR2CHTR2BMAPT
SCHEMBL6186362 0.78 AR (0.51) ARHTR2AHTR2CHTR2BMAPT
SCHEMBL19410987 0.76 AR (0.51) ARHTR2AHTR2CHTR2BMAPT
SCHEMBL7080334 0.75 HTR2A (0.55) ARHTR2AHTR2CHTR2BDRD2
SCHEMBL7368648 0.75 AR (0.50) ARMAPTALDH1A1DRD2DRD4
SCHEMBL3238397 0.75 DRD2 (0.42) ARHTR2AHTR2CHTR2BMAPT
SCHEMBL6187333 0.75 DRD2 (0.38) ARHTR2AHTR2CMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 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
EP-1032570-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2000-09-06 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-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 WO 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 AR 336/4885HTR2A 4/4885HTR2C 2/4885

“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.