SCHEMBL2406949

SCHEMBL2406949

COc1ccc(-c2cccc(N3CCC(CCN(Cc4cscn4)C(=O)O)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
MCHR1 Q99705 5/20 0.38
HRH3 Q9Y5N1 5/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACP1 P24666 2/20 0.37
NEK2 P51955 1/20 0.37
MAPT P10636 1/20 0.36
ACHE P22303 2/20 0.36
FFAR4 Q5NUL3 3/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM4 P08173 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
SCHEMBL2411477 0.92 CNR1 (0.40) CNR1RAB9ASMN1; SMN2ACP1NEK2
SCHEMBL2408149 0.91 FFAR1 (0.37) FFAR4
SCHEMBL2407363 0.89 CNR1 (0.37) CNR1MCHR1RAB9AMAPTFFAR4
SCHEMBL2407375 0.89 CKS1B (0.40) CNR1MCHR1RAB9ASMN1; SMN2FFAR4
SCHEMBL2406117 0.89 HSD11B1 (0.37) MCHR1HRH3FFAR4
SCHEMBL2408756 0.88 KDM4E (0.36) CNR1MAPTACHEFFAR4ALDH1A1
SCHEMBL2407342 0.88 DKK1 (0.41) CNR1RAB9ASMN1; SMN2FFAR4NPC1
SCHEMBL2407695 0.88 CPT2 (0.34) ACP1FFAR4PKM
SCHEMBL2406862 0.87 CPT1A (0.37) CNR1SMN1; SMN2FFAR4
SCHEMBL2405723 0.87 FFAR4 (0.41) CNR1NEK2FFAR4

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-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL CNR1 39/4885MCHR1 300/4885HRH3 42/4885

“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.