SCHEMBL4769826

SCHEMBL4769826

CC(C)C(=O)Nc1c(F)cc(F)c(C2=CCNCC2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.36
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR7 P34969 3/20 0.36
QDPR P09417 3/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
FTO Q9C0B1 1/20 0.32
NAMPT P43490 1/20 0.32
BRPF1 P55201 1/20 0.32
MAPT P10636 2/20 0.32
WDR5 P61964 1/20 0.32
HTR1B P28222 1/20 0.32
HTR3A P46098 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL31701454 0.69 CCNT1 (0.41) HTR6HTR2AHTR2CHTR7QDPR
SCHEMBL4765040 0.69 KDM4E (0.35) KDM4E
SCHEMBL4767836 0.68 HTR2C (0.50) HTR2CQDPRCTSLCTSBCTSS
SCHEMBL4765033 0.68 KDM4E (0.41) MAPTKDM4EALDH1A1HTT
SCHEMBL24671541 0.66 CCNT1 (0.37) HTR6HTR2AHTR2CHTR7QDPR
SCHEMBL31700427 0.66 HTR6 (0.40) HTR6HTR2AHTR2CHTR7QDPR
SCHEMBL5542927 0.64 HTR2C (0.50) HTR6HTR2AHTR2CHTR7QDPR
SCHEMBL24670266 0.64 CCNT1 (0.52) HTR6CCNT1CDK9BRPF1ALDH1A1
SCHEMBL25328675 0.64 HTR2C (0.53) HTR6HTR2AHTR2CHTR7QDPR
SCHEMBL24671095 0.64 HTR2C (0.44) HTR6HTR2AHTR2CHTR7QDPR

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 9 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-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR6 41/4885HTR2A 39/4885HTR2C 32/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR6 41/4885HTR2A 39/4885HTR2C 32/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HTR6 41/4885HTR2A 39/4885HTR2C 32/4885

“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.