SCHEMBL3238397

SCHEMBL3238397

CSc1cc2c(cc1Cl)NCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NOTUM Q6P988 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
AR P10275 2/20 0.33
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2B P41595 3/20 0.31
F7 P08709 1/20 0.31
PARP1 P09874 1/20 0.31
F3 P13726 1/20 0.31
PARP10 Q53GL7 1/20 0.31

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
SCHEMBL6187333 0.82 DRD2 (0.38) DRD2DRD4ALDH1A1MAPTHTR2A
SCHEMBL8527140 0.81 DRD2 (0.39) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8529844 0.81 DRD2 (0.39) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL8528753 0.79 ALDH1A1 (0.45) DRD2DRD4ALDH1A1MAPTHTR2A
SCHEMBL3237859 0.79 DRD2 (0.38) DRD2DRD4ALDH1A1MAPTHTR2A
SCHEMBL8529795 0.78 DRD2 (0.52) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL3242042 0.76 HTR2A (0.40) DRD2DRD4ALDH1A1MAPTHTR2A
SCHEMBL4138556 0.76 DRD2 (0.46) DRD2DRD4ALDH1A1MAPTNOTUM
SCHEMBL7079658 0.75 AR (0.48) DRD2DRD4ALDH1A1MAPTHTR2A
Hydrochloric Acid SCHEMBL7078884 0.73 DRD2 (0.34) DRD2DRD4ALDH1A1MAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210886-B1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-09-23 EP disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 US disclosed
US-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-18 US disclosed
EP-2210886-A1 PYRIMIDYL INDOLINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-07-28 EP disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND GPR119, SLC5A2, SLC5A1 DRD2 1855/4885DRD4 614/4885ALDH1A1 1197/4885

“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.