SCHEMBL4768290

SCHEMBL4768290

Cc1ccc(NC(=O)C(C)C)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
F2R P25116 1/20 0.52
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
GLA P06280 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL8737928 0.84 POLB (0.61) KMT2AALDH1A1KDM4ECA12CA1
SCHEMBL2886975 0.82 ALDH1A1 (0.56) KMT2AALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL5755596 0.81 KMT2A (0.69) KMT2AALDH1A1KDM4ECA12CA1
SCHEMBL13883703 0.81 KMT2A (0.54) KMT2AALDH1A1KDM4ECA12CA1
SCHEMBL31094956 0.80 SMN1; SMN2 (0.57) KMT2AALDH1A1KDM4ECA12CA1
SCHEMBL2556808 0.80 SMN1; SMN2 (0.57) KMT2AALDH1A1KDM4ECA12CA1
SCHEMBL11026747 0.79 KMT2A (0.53) KMT2AALDH1A1KDM4ECA12CA1
SCHEMBL13596197 0.79 KMT2A (0.56) KMT2AALDH1A1KDM4EGLANPC1
SCHEMBL13390859 0.79 KDM4E (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL23884380 0.79 CYP1A2 (0.59) KMT2AF2RALDH1A1KDM4ETDP1

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 14 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-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
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 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
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO 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 (4 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R KMT2A 1037/4885F2R 1879/4885ALDH1A1 620/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KMT2A 1399/4885F2R 1380/4885ALDH1A1 604/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KMT2A 1399/4885F2R 1380/4885ALDH1A1 604/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KMT2A 1399/4885F2R 1380/4885ALDH1A1 604/4885

“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.