SCHEMBL15832189

SCHEMBL15832189

C=C(CNC(=C)NCc1ccc(C)cc1)NCN1CCCC(C)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.61
▸ EPHX2 P34913 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL15832155 0.71 SMN1; SMN2 (0.57) HPGDGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL13726832 0.71 HPGD (0.60) HPGDALDH1A1HRH3POLB
SCHEMBL82814 0.71 HPGD (0.60) HPGDALDH1A1HRH3POLB
SCHEMBL15832148 0.67 PPIB (0.52) HPGDEPHX2GAASMN1; SMN2ALDH1A1
SCHEMBL15832152 0.65 PPID (0.43) GAASMN1; SMN2ALDH1A1CYP2C9POLB
SCHEMBL3263478 0.65 HPGD (0.60) HPGDEPHX2GAASMN1; SMN2ALDH1A1
SCHEMBL15832187 0.65 PPID (0.42) HPGDGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL15832162 0.64 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL15832176 0.64 EPHX1 (0.46) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL17888300 0.64 NPSR1 (0.70) HPGDALDH1A1RAB9ACYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 HPGD 2561/4885EPHX2 1040/4885GAA 3558/4885

“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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