SCHEMBL277002

SCHEMBL277002

CCOC(=O)c1nn(-c2ccc(C)cc2C)c(-c2cccc([N+](=O)[O-])c2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 4/20 0.48
ELANE P08246 2/20 0.47
F2 P00734 1/20 0.47
PLAU P00749 1/20 0.47
CTRB1 P17538 1/20 0.47
PDE4B Q07343 4/20 0.47
PDE4D Q08499 4/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MITF O75030 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL276770 0.87 KDM4E (0.44) SMN1; SMN2MAPTRAB9ANPC1THRB
SCHEMBL276997 0.79 CNR1 (0.56) MAPTSLC6A2SLC6A3
SCHEMBL24208982 0.79 CNR1 (0.56)
SCHEMBL7561112 0.71 ALDH1A1 (0.53) SMN1; SMN2MAPTELANEF2PLAU
SCHEMBL11703237 0.71 MAPT (0.59) SMN1; SMN2MAPTELANEF2PLAU
SCHEMBL30521049 0.70 MAPT (0.54) SMN1; SMN2MAPTPDE4BPDE4DRAB9A
SCHEMBL21199844 0.70 MAPT (0.54) SMN1; SMN2MAPTPDE4BPDE4DRAB9A
SCHEMBL12907707 0.69 CNR1 (0.66) MAPTMEN1KMT2AMAPK1
SCHEMBL27086172 0.68 MAPT (0.55) SMN1; SMN2MAPTPDE4BPDE4DRAB9A
SCHEMBL276598 0.68 CNR1 (0.41) MAPTNPC1ALDH1A1

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-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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 (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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 SMN1; SMN2 4630/4885MAPT 4267/4885ELANE 4111/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 SMN1; SMN2 4630/4885MAPT 4267/4885ELANE 4111/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 SMN1; SMN2 4739/4885MAPT 4569/4885ELANE 4395/4885

“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.