SCHEMBL10148012

SCHEMBL10148012

CNC(Cc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4A O75164 1/20 0.50
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6773482 0.86 KDM4A (0.54) MEN1KMT2AKDM4APOLBCYP2C19
SCHEMBL7420624 0.86 KDM4A (0.54) MEN1KMT2AKDM4APOLBCYP2C19
SCHEMBL22290853 0.85 ALDH1A1 (0.50) MEN1KMT2AKDM4APOLBCYP2C19
SCHEMBL3096665 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL7312405 0.81 ALDH1A1 (0.54) MEN1KMT2AKDM4APOLBCYP2C19
SCHEMBL7424434 0.80 POLB (0.51) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL7424432 0.80 POLB (0.51) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL15226929 0.80 POLB (0.51) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL8986743 0.80 POLB (0.51) MEN1KMT2APOLBCYP2C19ALDH1A1
SCHEMBL8986747 0.80 POLB (0.51) MEN1KMT2APOLBCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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 (3 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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MEN1 3470/4885KMT2A 690/4885KDM4A 1285/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 MEN1 1809/4885KMT2A 1576/4885KDM4A 2412/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 MEN1 3470/4885KMT2A 690/4885KDM4A 1285/4885

“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.