SCHEMBL8000991

SCHEMBL8000991

CCCCOc1ccc(C2=C(Br)C(=O)C(C)(C)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
CYP2D6 P10635 6/20 0.42
CYP3A4 P08684 4/20 0.42
CYP19A1 P11511 8/20 0.42
CYP2C9 P11712 6/20 0.42
CYP2C19 P33261 6/20 0.42
CYP1A2 P05177 5/20 0.42
SMPD1 P17405 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
RARB P10826 3/20 0.40

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
SCHEMBL7897258 0.80 PTGS2 (0.41) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL12188829 0.80 PTGS2 (0.41) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL1420248 0.80 GSTP1 (0.49) LMNACYP2C19CYP1A2SMPD1MAPT
SCHEMBL12188718 0.78 CYP2D6 (0.57) LMNACYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL7888505 0.78 CYP2D6 (0.57) LMNACYP2D6CYP3A4CYP19A1CYP2C9
SCHEMBL7897924 0.77 ALDH1A1 (0.44) MAPT
SCHEMBL27465488 0.71
SCHEMBL27484474 0.71
SCHEMBL8000018 0.71 CYP2D6 (0.44) LMNANPY1RNPY2RCYP2D6CYP3A4
SCHEMBL9151170 0.69 CYP2D6 (0.76) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2014-01-09 US disclosed
US-8466148-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-18 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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 (4 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A LMNA 3565/4885NPY1R 3304/4885NPY2R 3365/4885
US-20140011808-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A LMNA 3565/4885NPY1R 3304/4885NPY2R 3365/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A LMNA 3565/4885NPY1R 3304/4885NPY2R 3365/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A LMNA 3565/4885NPY1R 3304/4885NPY2R 3365/4885

“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.