SCHEMBL3094959

SCHEMBL3094959

Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 2/20 0.48
HCAR3 P49019 3/20 0.48
GPR119 Q8TDV5 2/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
BRD4 O60885 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL606162 0.92 ALDH1A1 (0.51) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL28502044 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL29791919 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL22716841 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4801290 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL10059190 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL30870562 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL16896124 0.88 USP30 (0.49) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL16791245 0.88 USP30 (0.49) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL16136068 0.88 ALDH1A1 (0.63) ALDH1A1MAPTLMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
CN-112074511-A Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2020-12-11 CN disclosed
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R ALDH1A1 1415/4885MAPT 1723/4885LMNA 3483/4885

“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.