SCHEMBL4876140

SCHEMBL4876140

NC1Cc2cc(-c3ccccc3)cnc2N(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 8/20 0.46
ALDH1A1 P00352 3/20 0.41
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4870980 0.79 F10 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4870896 0.78 AADAT (0.43) AADATALDH1A1MEN1KMT2AADORA2A
SCHEMBL15207081 0.73 CYP3A4 (0.48) ALDH1A1CYP11B2MEN1KMT2ACYP2C9
SCHEMBL4985358 0.72 AADAT (0.56) AADATALDH1A1MEN1KMT2AADORA2A
SCHEMBL6763779 0.72 AADAT (0.56) AADAT
SCHEMBL4801630 0.72 AADAT (0.46) AADATALDH1A1MEN1KMT2AADORA2A
SCHEMBL5179725 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL5180380 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP2C9CYP1A2
SCHEMBL22426223 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP2C9CYP1A2
Hydrochloric Acid SCHEMBL5180301 0.70 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
WO-2006076597-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 AADAT 2382/4885ALDH1A1 2100/4885CHEK1 2109/4885

“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.