SCHEMBL12677914

SCHEMBL12677914

Cc1cncc(C(=O)N(C)C2CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ ATM Q13315 1/20 0.46
▸ SMYD3 Q9H7B4 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL12048998 0.78 HCAR2 (0.62) HCAR2ATMSMYD3RAB9AL3MBTL1
SCHEMBL24576770 0.76 HCAR2 (0.60) HCAR2ATMSMYD3RAB9AL3MBTL1
SCHEMBL14688547 0.75 POLB (0.64) POLBNPC1RAB9AS1PR1HPGD
SCHEMBL10282081 0.75 HCAR2 (0.58) HCAR2CYP11B2ATMSMYD3RAB9A
SCHEMBL9001762 0.74 NPC1 (0.60) POLBATMNPC1RAB9AS1PR1
SCHEMBL2227459 0.74 POLB (0.66) POLBNPC1RAB9AS1PR1HPGD
SCHEMBL30766230 0.74 ALDH1A1 (0.49) CYP11B2POLBNPC1RAB9AL3MBTL1
SCHEMBL20460529 0.73 POLB (0.60) POLBNPC1RAB9AS1PR1HPGD
SCHEMBL4153903 0.73 ALDH1A1 (0.62) POLBNPC1RAB9AL3MBTL1HPGD
SCHEMBL8130980 0.72 POLB (0.62) POLBNPC1RAB9AS1PR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 — — US disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 — — US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 — — US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 — — US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 — — 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 HCAR2 273/4885CYP11B2 312/4885POLB 4703/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 HCAR2 273/4885CYP11B2 312/4885POLB 4703/4885

“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.

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