SCHEMBL2136664

SCHEMBL2136664

COc1ccc(C=O)c(C2CCCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.42
▸ STS P08842 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ TRIM24 O15164 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 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
SCHEMBL30749316 0.85 ALDH1A1 (0.48) L3MBTL1ALDH1A1STSUSP30HTT
SCHEMBL27224030 0.85 ALDH1A1 (0.48) L3MBTL1ALDH1A1STSUSP30HTT
SCHEMBL2137749 0.85 ALDH1A1 (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2136674 0.85 ALDH1A1 (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2136662 0.85 ALDH1A1 (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2136658 0.85 ALDH1A1 (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2137742 0.85 ALDH1A1 (0.43) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31556715 0.84 ALDH1A1 (0.47) L3MBTL1ALDH1A1USP30HTTMEN1
SCHEMBL30749292 0.84 ALDH1A1 (0.47) L3MBTL1ALDH1A1USP30HTTMEN1
SCHEMBL2130470 0.84 TSHR (0.43) L3MBTL1KDM4ENPC1ALDH1A1MEN1

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-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-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 L3MBTL1 3709/4885KDM4E 422/4885NPC1 390/4885

“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.

Send feedback