SCHEMBL3231127

SCHEMBL3231127

c1ccc(COCCSc2ccc3c(c2)CCN3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
APP P05067 1/20 0.36
ACHE P22303 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL31539406 0.81 MAOA (0.46) MAOAMAOBDRD2DRD4ACHE
SCHEMBL288292 0.75 DRD2 (0.50) DRD2DRD4APPHRH3TSHR
SCHEMBL3231505 0.75 DRD2 (0.46) MAOAMAOBDRD2DRD4APP
SCHEMBL3875255 0.75 MAOA (0.68) MAOAMAOBDRD2DRD4HRH3
SCHEMBL3245347 0.74 MAOA (0.44) MAOAMAOBDRD2DRD4ACHE
Hydrochloric Acid SCHEMBL3902331 0.74 MAOA (0.66) MAOAMAOBHRH3
SCHEMBL3238873 0.72 DRD2 (0.44) DRD2DRD4APPHRH3ALDH1A1
SCHEMBL29887576 0.72 ALDH1A1 (0.56) MAOAMAOBTSHRALDH1A1
SCHEMBL3245294 0.71 DRD2 (0.49) DRD2DRD4APPHRH3TSHR
SCHEMBL756508 0.71 DRD2 (0.37) DRD2DRD4APPHRH3TSHR

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
EP-2210886-B1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-09-23 EP disclosed
CN-101896481-B Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2014-04-30 CN disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 US disclosed
CN-101896481-A Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2010-11-24 CN 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

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 MAOA 2014/4885MAOB 1802/4885DRD2 1855/4885

“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.