SCHEMBL16761920

SCHEMBL16761920

OC[C@H]1CC[C@@H](OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
BCHE P06276 2/20 0.39
ALOX5 P09917 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL16761921 1.00 CARM1 (0.49) CARM1PRMT6IDO1AGXTBCHE
SCHEMBL22762091 0.83 OPRM1 (0.49) CARM1PRMT6BCHECYP3A4CYP2C9
SCHEMBL17103670 0.83 OPRM1 (0.49) CARM1PRMT6BCHECYP3A4CYP2C9
SCHEMBL17103669 0.83 OPRM1 (0.49) CARM1PRMT6BCHECYP3A4CYP2C9
SCHEMBL18616158 0.80 CARM1 (0.55) CARM1PRMT6IDO1AGXTBCHE
SCHEMBL18003014 0.80 CARM1 (0.52) CARM1PRMT6IDO1KMT2ATACR1
SCHEMBL16838849 0.79 CARM1 (0.55) CARM1PRMT6IDO1AGXTBCHE
SCHEMBL16838847 0.79 CARM1 (0.55) CARM1PRMT6IDO1AGXTBCHE
SCHEMBL4471193 0.79 SLC6A4 (0.58) CARM1PRMT6IDO1AGXTSLC6A2
SCHEMBL16839479 0.79 CARM1 (0.54) CARM1PRMT6IDO1AGXTCYP3A4

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-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 CARM1 206/4885PRMT6 298/4885IDO1 352/4885

“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.