SCHEMBL2885938

SCHEMBL2885938

O=C1Cc2ccccc2C2(CCC(c3nc4cnc(-c5ccccc5F)nc4[nH]3)CC2)N1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 18/20 0.39
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL2887445 0.88 NPY5R (0.44) NPY5RPARP1PARP2
SCHEMBL2890567 0.88 NPY5R (0.44) NPY5R
SCHEMBL2885943 0.86 NPY5R (0.42) NPY5RPARP1PARP2MAPKAPK2
SCHEMBL2884993 0.82 NPY5R (0.43) NPY5RPARP1PARP2MAPKAPK2
SCHEMBL2885746 0.80 NPY5R (0.62) NPY5R
SCHEMBL2889002 0.77 NPY5R (0.53) NPY5R
SCHEMBL1582436 0.75 NPY5R (0.50) NPY5R
SCHEMBL2887082 0.75 NPY5R (0.53) NPY5R
SCHEMBL2887450 0.74 NPY5R (0.44) NPY5R
SCHEMBL2881685 0.73 NPY5R (0.60) NPY5R

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
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US claimed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US claimed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 US claimed
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 US disclosed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 US disclosed
US-7105526-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2006-09-12 US disclosed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 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 (3 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-20040054177-A1 Novel benzimidazole derivatives OPRM1, OPRK1, HTR7 NPY5R 34/4885PARP1 3939/4885PARP2 3336/4885
US-20060205750-A1 Novel benzimidazole derivatives NPY4R, NPY5R, NPY1R NPY5R 2/4885PARP1 4341/4885PARP2 4024/4885
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES NPY4R, NPY5R, NPY1R NPY5R 2/4885PARP1 4341/4885PARP2 4024/4885

“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.