SCHEMBL6713345

SCHEMBL6713345

CC1NC(=O)[N+](C(=O)[O-])(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(F)c(F)c2)C1(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
GUSB P08236 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL6850188 0.73 ADORA3 (0.46) LMNAMAPTADORA3
SCHEMBL6848618 0.70 ADORA3 (0.39) ALDH1A1KDM1ALMNAMAPTADORA3
SCHEMBL3993972 0.69 ADORA3 (0.41) ALDH1A1KDM1ALMNAMAPTADORA3
Bicarbonate SCHEMBL28637012 0.59 ALDH1A1 (0.58) ALDH1A1GAALMNAMAPTSMN1; SMN2
SCHEMBL85604 0.56 ALDH1A1 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL29379039 0.56 ALDH1A1 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL28252591 0.56 ALDH1A1 (0.69) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL28247789 0.56 MEN1 (0.50) ALDH1A1GAALMNARECQL
SCHEMBL28247167 0.56 MEN1 (0.50) ALDH1A1GAALMNARECQL
SCHEMBL9315676 0.56 ALDH1A1 (0.49) ALDH1A1LMNAGUSBMAPTADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 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 (2 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-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 1449/4885GAA 1029/4885KDM1A 1104/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ALDH1A1 1792/4885GAA 316/4885KDM1A 693/4885

“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.