SCHEMBL1025951

SCHEMBL1025951

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.52
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ NPY5R Q15761 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC18A3 Q16572 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1025952 1.00 HSD11B1 (0.52) HSD11B1AKR1C3AKR1C1KDM4ENPY5R
SCHEMBL527479 0.80 DPP4 (0.30) —
SCHEMBL6119098 0.78 YTHDC1 (0.47) KDM4ERAB9AALDH1A1L3MBTL1RIPK1
SCHEMBL6119093 0.78 YTHDC1 (0.47) KDM4ERAB9AALDH1A1L3MBTL1RIPK1
SCHEMBL16600480 0.77 JAK2 (0.47) NPC1RAB9ASLC18A3L3MBTL1RIPK1
SCHEMBL3038081 0.77 HRH1 (0.42) —
SCHEMBL3038076 0.77 HRH1 (0.42) —
Dimethylcarbate SCHEMBL8440752 0.77 AKR1C3 (0.53) HSD11B1AKR1C3AKR1C1KDM4ENPY5R
SCHEMBL21838628 0.77 AKR1C3 (0.44) HSD11B1AKR1C3AKR1C1NPY5RNPC1
SCHEMBL16010515 0.77 KDM1A (0.60) —

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HSD11B1 163/4885AKR1C3 841/4885AKR1C1 488/4885

“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.

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