SCHEMBL6834487

SCHEMBL6834487

Cn1cc2c(n1)-c1c(C(=O)Nc3ccccn3)c[nH]c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD4 P21917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
GRM5 P41594 1/20 0.38
KCNMA1 Q12791 1/20 0.38
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL6834466 0.86 KMT2A (0.37) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL7222852 0.86 NPC1 (0.43) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6309724 0.84 MEN1 (0.44) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6834309 0.83 LMNA (0.42) GAAALDH1A1HTTNPC1RAB9A
SCHEMBL7216813 0.83 F10 (0.39) GAANPC1RAB9AMEN1KMT2A
SCHEMBL7221648 0.83 JAK2 (0.40) GAAALDH1A1RAB9AMEN1KMT2A
SCHEMBL7216265 0.82 NPC1 (0.38) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL6831069 0.82 NAMPT (0.53) GAAALDH1A1HTTNPC1RAB9A
SCHEMBL6304677 0.81 GRM5 (0.40) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7218324 0.81 MAPT (0.42) GAAALDH1A1NPC1RAB9ASMN1; 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 GAA 1361/4885ALDH1A1 1197/4885HTT 2511/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 GAA 1361/4885ALDH1A1 1197/4885HTT 2511/4885

“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.