SCHEMBL14508591

SCHEMBL14508591

CNCCNC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
KDM4E B2RXH2 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CXCR4 P61073 4/20 0.39
CXCL12 P48061 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CARM1 Q86X55 3/20 0.37
PRMT6 Q96LA8 3/20 0.37
PRMT8 Q9NR22 2/20 0.37
PRMT1 Q99873 1/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5348992 0.97 RAD52 (0.47) RAD52KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL3321877 0.95
SCHEMBL3314879 0.89
SCHEMBL3298507 0.86 RAD52 (0.52) RAD52KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL27461328 0.85 SIGMAR1 (0.52) KDM4ESIGMAR1CXCR4CXCL12ALDH1A1
SCHEMBL22175381 0.83 SIGMAR1 (0.55) KDM4ESIGMAR1CXCR4CXCL12ALDH1A1
SCHEMBL681346 0.83 CXCR4 (0.52) RAD52KDM4ESIGMAR1CXCR4CXCL12
SCHEMBL455085 0.83 RAD52 (0.56) RAD52KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL1779849 0.83 RAD52 (0.56) RAD52KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL25975593 0.82 CARM1 (0.35) RAD52SIGMAR1CXCR4CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793883-B1 TRPM8 ANTAGONISTS DOMPE FARM SPA (IT) 2018-04-18 EP disclosed
US-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-05-11 US disclosed
US-9585875-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-03-07 US disclosed
US-20140371276-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-12-18 US disclosed
WO-2013092711-A1 TRPM8 ANTAGONISTS DOMPE' S.P.A. (IT) 2013-06-27 WO disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 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-20170129881-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 RAD52 4482/4885KDM4E 4303/4885CYP1A2 2749/4885
US-20140371276-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPV1 RAD52 4668/4885KDM4E 4283/4885CYP1A2 2932/4885

“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.