SCHEMBL1868160

SCHEMBL1868160

CC(C)(C)OC(=O)N1CC=C(c2ccc3ccnc(Cl)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ GRM1 Q13255 5/20 0.46
▸ GRM5 P41594 5/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CDK13 Q14004 1/20 0.46
▸ CDK12 Q9NYV4 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ TNK2 Q07912 2/20 0.46
▸ CCNT1 O60563 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ SOS1 Q07889 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ BRD4 O60885 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL7097586 0.90 TNK2 (0.48) NAMPTCNR1GRM1GRM5CDK7
SCHEMBL30074970 0.84 CNR1 (0.55) NAMPTCNR1GRM1GRM5CDK7
Trifluoroacetic Acid SCHEMBL1873263 0.83 TNK2 (0.51) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL8512618 0.83 GRM5 (0.51) NAMPTCNR1GRM1GRM5WNT3A
SCHEMBL31336142 0.83 GRM5 (0.51) NAMPTCNR1GRM1GRM5WNT3A
SCHEMBL30993158 0.82 CNR1 (0.51) NAMPTCNR1GRM1GRM5CDK7
SCHEMBL25457026 0.80 CNR1 (0.49) CNR1GRM1GRM5TNK2CCNT1
SCHEMBL31227073 0.80 WNT3A (0.61) NAMPTGRM1GRM5WNT3ATNK2
SCHEMBL171730 0.80 WNT3A (0.61) NAMPTGRM1GRM5WNT3ATNK2
SCHEMBL24165469 0.80 NAMPT (0.50) NAMPTCNR1GRM1GRM5CDK7

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
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 — — US disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 — — US disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 — — 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 (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-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 NAMPT 596/4885CNR1 449/4885GRM1 2239/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 NAMPT 596/4885CNR1 449/4885GRM1 2239/4885

“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.

Send feedback