SCHEMBL3986448

SCHEMBL3986448

CC(=O)Nc1cccc(C2=CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.54
▸ SIGMAR1 Q99720 1/20 0.51
▸ NAMPT P43490 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NQO2 P16083 2/20 0.48
▸ QDPR P09417 3/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 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
Hydrochloric Acid SCHEMBL5662417 0.99 HTR2C (0.55) HTR2CSIGMAR1NAMPTNPC1RAB9A
SCHEMBL4767836 0.86 HTR2C (0.50) HTR2CSIGMAR1NAMPTNPC1RAB9A
SCHEMBL22144480 0.81 HTR2C (0.60) HTR2CSIGMAR1NAMPTQDPR
Trifluoroacetic Acid SCHEMBL30745981 0.79 HTR2C (0.54) HTR2CSIGMAR1NAMPTQDPR
SCHEMBL31705007 0.76 HTR2C (0.54) HTR2CSIGMAR1NAMPTQDPR
SCHEMBL3168588 0.76 HTR2C (0.54) HTR2CSIGMAR1NAMPTQDPR
SCHEMBL6223899 0.76 NQO2 (0.50) NPC1RAB9ASMN1; SMN2TSHRNQO2
SCHEMBL27736497 0.75 NQO2 (0.59) NPC1RAB9ASMN1; SMN2TSHRNQO2
SCHEMBL13406396 0.74 SIGMAR1 (0.62) HTR2CSIGMAR1QDPR
SCHEMBL29914651 0.73 HTR2C (0.66) HTR2CSIGMAR1QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 — — EP disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 — — US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 — — US disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 — — 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-7105544-B2 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-09-12 — — US disclosed
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 — — US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 — — US disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 — — US disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 — — US disclosed
US-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 — — 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
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 — — WO disclosed
WO-2004004714-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 — — WO 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
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 (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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R HTR2C 147/4885SIGMAR1 159/4885NAMPT 4015/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R HTR2C 109/4885SIGMAR1 57/4885NAMPT 1815/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R HTR2C 436/4885SIGMAR1 230/4885NAMPT 4179/4885
US-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR2C 32/4885SIGMAR1 109/4885NAMPT 3333/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R HTR2C 147/4885SIGMAR1 159/4885NAMPT 4015/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R HTR2C 98/4885SIGMAR1 114/4885NAMPT 3335/4885
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 HTR2C 50/4885SIGMAR1 71/4885NAMPT 3791/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR2C 32/4885SIGMAR1 109/4885NAMPT 3333/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR2C 32/4885SIGMAR1 109/4885NAMPT 3333/4885

“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.

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