SCHEMBL3911482

SCHEMBL3911482

NCC1(F)CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
HSD11B1 P28845 2/20 0.50
POLB P06746 1/20 0.50
GPR183 P32249 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 1/20 0.46

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
SCHEMBL1971597 0.86 CHRM2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL17868442 0.85 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3906981 0.84 MEN1 (0.57) HSD11B1MEN1KMT2AHTR1A
SCHEMBL3904865 0.81 HTR1A (0.51) KMT2AHTR1A
SCHEMBL6981877 0.81 HTR1A (0.62) HTR1A
SCHEMBL3909631 0.80 HPGD (0.60) POLBKMT2AHTR1A
SCHEMBL21166248 0.78 SLC6A7 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6982584 0.78 HPGD (0.58) MEN1ALDH1A1KMT2AHTR1A
SCHEMBL22305103 0.78 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL6985975 0.78 CA12 (0.71) CA12CA1CA2CA7CA9

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-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
US-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2006-05-11 US disclosed
EP-1539738-A1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2005-06-15 EP disclosed
WO-2003106449-A1 NOVEL ARYL-{4-HALO-4-[HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL}-METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-12-24 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-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments CYP4B1, CYP4X1, CYP2E1 CA12 2821/4885CA1 1459/4885CA2 526/4885

“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.