SCHEMBL6834084

SCHEMBL6834084

CCNCCn1cc2c(n1)-c1c(C(=O)Nc3cccnc3)c[nH]c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.44
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
TSHR P16473 1/20 0.36
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
CSF1R P07333 1/20 0.35
SGMS2 Q8NHU3 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
SCHEMBL6834167 0.91 NAMPT (0.55) NAMPTALDH1A1SMN1; SMN2HSD17B10TRPV1
SCHEMBL6833501 0.90 NAMPT (0.45) NAMPTALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL6831069 0.86 NAMPT (0.53) NAMPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL6834410 0.82 NPC1 (0.36) ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL6309958 0.80 ALDH1A1 (0.42) NAMPTALDH1A1TSHRKDM4EMEN1
SCHEMBL6303008 0.80 ALDH1A1 (0.44) NAMPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL6835981 0.79 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HSD17B10TSHRKDM4E
SCHEMBL7222958 0.77 NPSR1 (0.34) NAMPTALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL7386449 0.74 ALDH1A1 (0.48) NAMPTALDH1A1HSD17B10TSHRKDM4E
SCHEMBL7218258 0.73 GCK (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NAMPT 2347/4885ALDH1A1 1197/4885SMN1; SMN2 3794/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NAMPT 2347/4885ALDH1A1 1197/4885SMN1; SMN2 3794/4885

“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.