SCHEMBL6990102

SCHEMBL6990102

O=C(c1cc2ccccc2nc1O)N1CCC(c2ccc(Cl)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.50
SPR P35270 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MGLL Q99685 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
HSD11B1 P28845 3/20 0.47
FASN P49327 1/20 0.46

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
SCHEMBL6987252 0.89 HSD11B1 (0.50) SPRCACNA1BAPBA1LMNATP53
SCHEMBL6987231 0.84 PROKR1 (0.51) PROKR1SPRMGLLLMNATP53
SCHEMBL6987239 0.81 PROKR1 (0.50) PROKR1CACNA1BAPBA1LMNANPC1
SCHEMBL6990112 0.80 CYP2C9 (0.54) SPRMGLL
SCHEMBL6989447 0.75 HSD11B1 (0.53) SPRCACNA1BAPBA1LMNATP53
SCHEMBL6990119 0.72 HSP90AA1 (0.48)
SCHEMBL16735634 0.72 KDM4C (0.54) PROKR1SPRCACNA1BAPBA1NPC1
SCHEMBL4958586 0.70 NPC1 (0.62) PROKR1SPRLMNATP53NPC1
SCHEMBL3542433 0.69 SCD5 (0.56) PROKR1SPRMGLLLMNATP53
SCHEMBL2477683 0.69 ALDH1A1 (0.49) SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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 (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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 PROKR1 2426/4885SPR 666/4885CACNA1B 3113/4885

“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.