SCHEMBL2580809

SCHEMBL2580809

COc1cccc(Cc2ccccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.53
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
DHFR P00374 1/20 0.50
ABCB1 P08183 3/20 0.49
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49
KEAP1 Q14145 1/20 0.49
HSPA5 P11021 1/20 0.48
VKORC1 Q9BQB6 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL6201870 0.87 MTNR1A (0.51) CALM1CHRM2CHRM1CHRM3DHFR
SCHEMBL226216 0.87 MAOB (0.56) CALM1CHRM2CHRM1CHRM3DHFR
SCHEMBL30416326 0.85 ABCB1 (0.62) ABCB1HTR1ADRD2TAAR1ABCG2
SCHEMBL4189173 0.85 ABCB1 (0.62) ABCB1HTR1ADRD2TAAR1ABCG2
SCHEMBL8702673 0.83 CHRM2 (0.54) CHRM2CHRM1CHRM3ABCB1HTR1A
SCHEMBL19900978 0.83 ESR1 (0.56) CHRM2CHRM1CHRM3ABCB1HTR1A
SCHEMBL8607999 0.82 HSPA5 (0.65) IDO1TAAR1KEAP1HSPA5
SCHEMBL19900867 0.81 HDAC1 (0.56) CHRM2CHRM1CHRM3ABCB1HTR1A
SCHEMBL6201740 0.81 CALM1 (0.51) CALM1CHRM2CHRM1CHRM3DHFR
SCHEMBL19900980 0.81 HDAC1 (0.56) CHRM2CHRM1CHRM3ABCB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503879-A1 COMPOSITIONS AND METHODS THEREOF Exciva UG (Haftungsbeschränkt) (DE) 2019-07-03 EP disclosed
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA (UG) (haftungsbeschränkt) (DE) 2019-06-20 US disclosed
CN-109890371-A Compositions and methods thereof 斯瑞尼瓦萨饶·韦帕切杜 2019-06-14 CN disclosed
WO-2018039642-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-03-01 WO disclosed
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 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 (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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 CALM1 743/4885CHRM2 836/4885CHRM1 414/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 CALM1 4224/4885CHRM2 3662/4885CHRM1 3842/4885

“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.