SCHEMBL1147540

SCHEMBL1147540

C#C[C@]1(O)CC[C@H](C(=O)OCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.40
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
FPR2 P25090 1/20 0.39
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 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
SCHEMBL1147546 1.00 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1147543 1.00 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21730 0.85 MAPT (0.44) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL15193870 0.82 CYP3A4 (0.41) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251803 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251805 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16841463 0.80 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1147895 0.80 MAPT (0.40) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1147896 0.80 MAPT (0.40) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1147893 0.80 MAPT (0.40) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US disclosed
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP disclosed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 US disclosed
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP disclosed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 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 (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-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 MAPT 4836/4885ALDH1A1 3639/4885CYP3A4 556/4885

“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.