SCHEMBL4770286

SCHEMBL4770286

O=C1c2ccccc2C(=O)N1[C@@H](CCCl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TNF P01375 6/20 0.45
POLB P06746 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14587405 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10323080 0.83 TNF (0.62) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10323079 0.83 TNF (0.62) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10447019 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL5834090 0.81 CASP3 (0.53) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL7340237 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL7343840 0.80 TNF (0.52) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10448820 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL16322141 0.79 MEN1 (0.58) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL12898667 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TNFPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 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 (7 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885HSD17B10 1821/4885L3MBTL1 278/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ALDH1A1 620/4885HSD17B10 2267/4885L3MBTL1 3754/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 1449/4885HSD17B10 1931/4885L3MBTL1 453/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885HSD17B10 1821/4885L3MBTL1 278/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885HSD17B10 1585/4885L3MBTL1 2698/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885HSD17B10 1585/4885L3MBTL1 2698/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885HSD17B10 1585/4885L3MBTL1 2698/4885

“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.