SCHEMBL2136252

SCHEMBL2136252

CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
UCHL1 P09936 3/20 0.52
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KLK7 P49862 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP30 Q70CQ3 1/20 0.46
EPHX2 P34913 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL1251121 1.00 NPC1 (0.53) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL1795426 1.00 NPC1 (0.53) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL5408443 0.96 NPC1 (0.57) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL3530509 0.96 NPC1 (0.57) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL25339309 0.91 KDM4E (0.49) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL20595777 0.91 KDM4E (0.49) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL25971389 0.91 KDM4E (0.49) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL8221674 0.88 NPC1 (0.55) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL25353468 0.88 LMNA (0.56) NPC1UCHL1HSD17B10MEN1KMT2A
SCHEMBL2136506 0.87 NPC1 (0.54) NPC1UCHL1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463187-B2 Methylphenidate derivatives and uses of them AMPIO PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-9463187-B2 Methylphenidate derivatives and uses of them AMPIO PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-20120101129-A1 Methylphenidate Derivatives and Uses of Them AMPIO PHARMACEUTICALS, INC. 2012-04-26 US disclosed
US-20120101129-A1 Methylphenidate Derivatives and Uses of Them AMPIO PHARMACEUTICALS, INC. 2012-04-26 US disclosed
US-8076485-B2 Methylphenidate derivatives and uses of them INSTITUTE FOR MOLECULAR MEDICINE, INC. (US) 2011-12-13 US disclosed
US-8076485-B2 Methylphenidate derivatives and uses of them INSTITUTE FOR MOLECULAR MEDICINE, INC. (US) 2011-12-13 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-20120101129-A1 Methylphenidate Derivatives and Uses of Them SLC6A3, COMT, UGT1A1 NPC1 390/4885UCHL1 1634/4885HSD17B10 1664/4885

“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.