SCHEMBL1613383

SCHEMBL1613383

COC(=O)[C@H](N)Cc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
NR3C2 P08235 3/20 0.44
MAPT P10636 3/20 0.43
HDAC8 Q9BY41 6/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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 SCHEMBL1613382 0.99 L3MBTL1 (0.45) L3MBTL1POLBNR3C2MAPTHDAC8
Hydrochloric Acid SCHEMBL1613380 0.99 L3MBTL1 (0.45) L3MBTL1POLBNR3C2MAPTHDAC8
SCHEMBL1613106 0.85 DPP4 (0.46) ALDH1A1
SCHEMBL10585341 0.85 DPP4 (0.46) ALDH1A1
SCHEMBL6327566 0.85 DPP4 (0.46) ALDH1A1
SCHEMBL2895608 0.85 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL2895605 0.85 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL3751401 0.85 HDAC8 (0.56) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL23387519 0.84 HDAC8 (0.48) HDAC8ALDH1A1KMT2AHDAC3HDAC1
Hydrochloric Acid SCHEMBL3740714 0.84 HDAC8 (0.58) HDAC8HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176250-B1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2011-10-26 EP disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 EP disclosed
US-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-09-30 US disclosed
EP-2176250-A1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2010-04-21 EP disclosed
WO-2009010299-A1 SUBSTITUTED HETEROARYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-01-22 WO disclosed
EP-2004604-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2008-12-24 EP disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 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 (2 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-20100249093-A1 Substituted Heteroarylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R L3MBTL1 337/4885POLB 3191/4885NR3C2 230/4885
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R L3MBTL1 1373/4885POLB 3338/4885NR3C2 144/4885

“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.