SCHEMBL5425895

SCHEMBL5425895

O=C(N1CCC(Oc2ccccc2Br)C1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.45
HMOX1 P09601 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CACNA1E Q15878 1/20 0.41
CACNA2D4 Q7Z3S7 1/20 0.41

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
SCHEMBL5425887 1.00 SCD (0.45) SCDHMOX1CACNB4CACNA1ACACNA1G
SCHEMBL5371393 0.93 MAPT (0.42) SCDKDM4EMAPTLMNANPSR1
SCHEMBL5371391 0.93 MAPT (0.42) SCDKDM4EMAPTLMNANPSR1
SCHEMBL2817662 0.85 EPHX2 (0.55) SCDEPHX2KDM4EMAPTLMNA
SCHEMBL2817663 0.85 EPHX2 (0.55) SCDEPHX2KDM4EMAPTLMNA
SCHEMBL1927899 0.80 USP30 (0.52) KDM1A
SCHEMBL5371252 0.79 HTR2C (0.44) KDM4EMAPTLMNANPSR1RBP4
SCHEMBL5371256 0.79 HTR2C (0.44) KDM4EMAPTLMNANPSR1RBP4
SCHEMBL69694 0.78 SCD (0.44) SCDEPHX2KDM4EMAPTLMNA
Trifluoroacetic Acid SCHEMBL71491 0.77 SCD (0.44) SCDEPHX2KDM4EMAPTLMNA

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 3 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

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 SCD 3601/4885HMOX1 1373/4885CACNB4 3428/4885

“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.