SCHEMBL3993976

SCHEMBL3993976

Nc1cccc(C2=CCN(C(=O)O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
ALOX15 P16050 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 1/20 0.47
QDPR P09417 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 2/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 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
SCHEMBL5959136 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2241959 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16113804 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL4864624 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5373499 0.83 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL901957 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16496703 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL28811687 0.82 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16262849 0.81 QDPR (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3988457 0.81 PDK4 (0.56)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
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
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 US disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20050154020-A1 4-Aryl piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2005-07-14 US 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
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-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 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
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 (9 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 398/4885SMN1; SMN2 886/4885MEN1 363/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ALDH1A1 620/4885SMN1; SMN2 1266/4885MEN1 307/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 1449/4885SMN1; SMN2 332/4885MEN1 526/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885SMN1; SMN2 615/4885MEN1 334/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ALDH1A1 1792/4885SMN1; SMN2 834/4885MEN1 358/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885SMN1; SMN2 869/4885MEN1 293/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885SMN1; SMN2 869/4885MEN1 293/4885
US-20050154020-A1 4-Aryl piperidines MCHR1, MCHR2, MC1R ALDH1A1 265/4885SMN1; SMN2 1378/4885MEN1 702/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R ALDH1A1 604/4885SMN1; SMN2 869/4885MEN1 293/4885

“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.