SCHEMBL7922402

SCHEMBL7922402

Cc1ccc2c(c1)OC(C)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.39
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAPDH P04406 1/20 0.34
POLB P06746 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
PTPN7 P35236 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7914323 0.84 BRD4 (0.50) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL21707063 0.78 P2RY6 (0.33) CREBBPBRD4
SCHEMBL18708715 0.78 BRD4 (0.35) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL20708104 0.78 PGR (0.40) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL14944005 0.78 BRD4 (0.35) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL13866108 0.77 BRD4 (0.37) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL69968 0.76 KIF11 (0.36) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL17792393 0.76 ROS1 (0.45) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL27590553 0.74 BRD4 (0.36) CREBBPBRD4ALDH1A1MAPTHSD17B10
SCHEMBL23722589 0.72 PARP1 (0.50) CREBBPBRD4MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CREBBP 180/4885BRD4 1145/4885ALDH1A1 762/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB CREBBP 351/4885BRD4 1710/4885ALDH1A1 583/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CREBBP 1677/4885BRD4 482/4885ALDH1A1 4801/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CREBBP 1677/4885BRD4 482/4885ALDH1A1 4801/4885

“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.