SCHEMBL15042628

SCHEMBL15042628

COc1cccc(CCCCCOc2ccc(CNCCCO[PH](=O)O)cc2-c2ccoc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BCHE P06276 2/20 0.38
POLB P06746 1/20 0.38
HTR6 P50406 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL15042608 0.89 S1PR1 (0.38) KDM4EMEN1KMT2ABCHEPOLB
SCHEMBL15042634 0.87 CHRM2 (0.43) CHRM2SCN8AALDH1A1KDM4EMEN1
SCHEMBL15022702 0.87 S1PR2 (0.52) CHRM2SCN8AALDH1A1KDM4EMEN1
SCHEMBL15042489 0.83 CHRM2 (0.43) CHRM2SCN8AALDH1A1KDM4EMEN1
SCHEMBL15042599 0.83 KMT2A (0.38) SCN8AKDM4EMEN1KMT2AHDAC1
SCHEMBL15042491 0.80 S1PR1 (0.38) ALDH1A1KDM4E
SCHEMBL15042562 0.80 S1PR1 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL15042615 0.80 S1PR3 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL15042597 0.79 ALDH1A1 (0.39) SCN8AALDH1A1KDM4EMEN1KMT2A
SCHEMBL15042629 0.79 S1PR2 (0.35) ALDH1A1KDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US 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 (2 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-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 CHRM2 315/4885SCN8A 1316/4885ALDH1A1 3552/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 CHRM2 315/4885SCN8A 1316/4885ALDH1A1 3552/4885

“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.