SCHEMBL9909358

SCHEMBL9909358

CN(c1ccc(Cl)cc1Cl)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
FSCN1 Q16658 1/20 0.45
ALDH1A1 P00352 2/20 0.41
GAA P10253 3/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
TSHR P16473 3/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 2/20 0.39
AGTR1 P30556 1/20 0.38
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
Nitrogen SCHEMBL10788138 0.83 NPC1 (0.43) NPC1RAB9AALDH1A1GAAJAK2
SCHEMBL30936610 0.83 KMT2A (0.54) NPC1RAB9AALDH1A1GAAJAK2
SCHEMBL6814037 0.83 ALDH1A1 (0.42) NPC1RAB9AALDH1A1GAAJAK2
SCHEMBL6819693 0.81 ALDH1A1 (0.41) NPC1RAB9AALDH1A1GAAJAK2
Methylamine SCHEMBL27987009 0.81 LMNA (0.47) NPC1RAB9AALDH1A1GAAJAK2
Methylamine SCHEMBL28000433 0.81 NPC1 (0.47) NPC1RAB9AALDH1A1GAAJAK2
SCHEMBL30936691 0.80 ALDH1A1 (0.44) NPC1RAB9AALDH1A1GAAJAK2
Methylamine SCHEMBL28000600 0.80 NPC1 (0.46) NPC1RAB9AALDH1A1GAAJAK2
SCHEMBL10785323 0.80 ALDH1A1 (0.37) NPC1RAB9AALDH1A1GAAJAK2
Hydrochloric Acid SCHEMBL1432259 0.79 RAB9A (0.41) NPC1RAB9AFSCN1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 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-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 NPC1 539/4885RAB9A 965/4885FSCN1 4265/4885

“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.