SCHEMBL2961031

SCHEMBL2961031

CC#CCN1c2c(ccn(CC(=O)c3ccccc3)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
CHRM1 P11229 2/20 0.31
ELANE P08246 1/20 0.31
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2958979 0.87 DPP4 (0.39) DPP4CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL2958833 0.86 ALDH1A1 (0.34) DPP4SMN1; SMN2
SCHEMBL2960605 0.85
SCHEMBL2962442 0.85 DPP4 (0.35) DPP4CHRM1LMNA
SCHEMBL5718866 0.83 DPP4 (0.40) DPP4CHRM1
SCHEMBL2952351 0.80 PFKFB3 (0.34) DPP4CHRM1
SCHEMBL2954630 0.80
SCHEMBL2964028 0.79 DPP4 (0.45) DPP4LMNA
SCHEMBL2957134 0.78
SCHEMBL6410346 0.78 DPP4 (0.32) DPP4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 DPP4 2329/4885CHRM1 7/4885ELANE 179/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 DPP4 4422/4885CHRM1 19/4885ELANE 1563/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885CHRM1 4756/4885ELANE 2327/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885ELANE 2238/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885ELANE 2238/4885

“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.