SCHEMBL2888604

SCHEMBL2888604

CC(C)Oc1ccc2c(n1)OCCNC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.42
S1PR3 Q99500 4/20 0.40
SSTR4 P31391 2/20 0.33
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 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
Hydrochloric Acid SCHEMBL2887257 0.99 S1PR1 (0.41) S1PR1S1PR3SSTR4MLNRCYP2D6
SCHEMBL2887302 0.89 S1PR1 (0.37) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2891093 0.88 S1PR1 (0.36) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2889170 0.88 S1PR1 (0.36) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2891189 0.88 S1PR1 (0.36) S1PR1S1PR3SSTR4
SCHEMBL2889254 0.87 S1PR1 (0.35) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2888831 0.86 S1PR1 (0.36) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2891384 0.85 S1PR1 (0.35) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2891465 0.85 S1PR1 (0.35) S1PR1S1PR3SSTR4
Hydrochloric Acid SCHEMBL2883232 0.85 S1PR1 (0.35) S1PR1S1PR3SSTR4

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-2213675-B1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-08-14 EP claimed
US-8329687-B2 Pyridooxazepine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US claimed
US-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US claimed
EP-2213675-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-04 EP claimed
EP-2213675-B1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-08-14 EP disclosed
US-8329687-B2 Pyridooxazepine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-2213675-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-04 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-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF HTR2C, HTR2A, TPH2 S1PR1 129/4885S1PR3 143/4885SSTR4 512/4885

“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.