SCHEMBL8001646

SCHEMBL8001646

CCNC(=O)c1ccc2cc(C)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ HSD17B14 Q9BPX1 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SCN9A Q15858 6/20 0.45
▸ NCK1 P16333 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.42

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
SCHEMBL14310903 0.84 ACKR3 (0.53) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL12520183 0.80 HSD17B14 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL22819412 0.80 KDM4C (0.69) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL6194060 0.77 MEN1 (0.57) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL26802086 0.77 CYP1A2 (0.55) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL8001647 0.77 CYP1A2 (0.56) SMN1; SMN2NPC1RAB9AHSD17B14CYP1A2
SCHEMBL16880740 0.76 HSD17B14 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL8007815 0.76 NCK1 (0.55) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL8001356 0.74 HPGDS (0.70) CNR1HPGDS
SCHEMBL15294421 0.73 HSD17B14 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 — — EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — WO 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 (1 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 SMN1; SMN2 696/4885NPC1 1092/4885RAB9A 2979/4885

“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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