SCHEMBL5371256

SCHEMBL5371256

O=C(N1CCC(Oc2ccccc2C2CCNCC2)C1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
HTR1A P08908 7/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 7/20 0.43
RBP4 P02753 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5371252 1.00 HTR2C (0.44) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5370297 0.94 HTR2C (0.42) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14559987 0.94 HTR2C (0.42) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5368296 0.83 KDM1A (0.46) MEN1KMT2ALMNA
SCHEMBL5425895 0.79 SCD (0.45) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL2817663 0.79 EPHX2 (0.55) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL5425887 0.79 SCD (0.45) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL2817662 0.79 EPHX2 (0.55) RBP4KDM4ELMNAMAPTNPSR1
SCHEMBL2274616 0.74 MEN1 (0.60) RBP4MEN1KMT2AMAPTNPSR1
SCHEMBL6786475 0.73 MEN1 (0.66) HTR2CRBP4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (1 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-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R HTR2C 114/4885HTR1A 86/4885SLC6A2 976/4885

“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.