SCHEMBL14738909

SCHEMBL14738909

Cn1cccc2c(Sc3ccc(Cl)cc3)c(C3CCN(C(=O)O)CC3)nc1-2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.39
LMNA P02545 1/20 0.39
AKR1B1 P15121 2/20 0.37
TP53 P04637 2/20 0.36
SLC6A4 P31645 1/20 0.36
MGLL Q99685 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
LIPE Q05469 1/20 0.35

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
SCHEMBL7711534 0.90 P2RX3 (0.38) PTGDR2LMNAAKR1B1TP53MGLL
SCHEMBL14738737 0.87 LMNA (0.37) PTGDR2LMNAAKR1B1TP53SLC6A4
SCHEMBL14738738 0.87 LMNA (0.37) PTGDR2LMNAAKR1B1TP53SLC6A4
SCHEMBL7713646 0.74 CNR1 (0.50) LMNA
SCHEMBL14739777 0.73 FAAH (0.35) LMNAMAPT
SCHEMBL7716091 0.73 FAAH (0.35) LMNAMAPT
SCHEMBL7713726 0.69 FAAH (0.47) PTGDR2LMNATP53SLC6A4HTR1A
SCHEMBL14739457 0.65 TP53 (0.35) PTGDR2AKR1B1TP53SLC6A4HTR1A
SCHEMBL14753488 0.65 NPC1 (0.49) LMNATP53MAPTHTTSMN1; SMN2
SCHEMBL2098866 0.64 HSD11B1 (0.58) LMNATP53DRD2MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed

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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 PTGDR2 168/4885LMNA 3097/4885AKR1B1 1273/4885

“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.