SCHEMBL3256558

SCHEMBL3256558

N#Cc1ccc2cccc(OCC3CCC(C(=O)O)CC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
MCHR1 Q99705 7/20 0.49
SOS2 Q07890 1/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
MTNR1A P48039 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL3256556 1.00 SRC (0.50) SRCMCHR1SOS2CYP4F2CYP4A11
SCHEMBL1148021 0.78 KDM4E (0.49) MCHR1KDM4E
SCHEMBL15016911 0.75 MCHR1 (0.52) MCHR1PIM1PIM2KDM4ELMNA
SCHEMBL3256176 0.73 KMT2A (0.50) MCHR1KDM4E
SCHEMBL11041348 0.73 SRC (0.58) SRCMCHR1SOS2KDM4ELMNA
SCHEMBL15016740 0.73 MCHR1 (0.52) MCHR1PDE4DPIM1PIM2KDM4E
SCHEMBL13738023 0.72 MCHR1 (0.63) MCHR1PIM1PIM2KDM4ELMNA
SCHEMBL11041327 0.72 SRC (0.57) SRCMCHR1SOS2
SCHEMBL4790737 0.71 MCHR1 (0.53) MCHR1PDE4DMTNR1AKDM4ELMNA
SCHEMBL16132600 0.71 MCHR1 (0.59) MCHR1PIM1PIM2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP claimed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 US claimed
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP claimed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 WO claimed
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 SRC 4338/4885MCHR1 313/4885SOS2 2049/4885

“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.