SCHEMBL4150693

SCHEMBL4150693

CC(C)(C)C1CC(O)(c2cncc(C(F)(F)F)c2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.34
CYP11B2 P19099 3/20 0.34
CNR2 P34972 2/20 0.34
ABCB11 O95342 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRL1 P41146 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PMP22 Q01453 1/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.32

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
SCHEMBL3330453 0.80 IDO1 (0.43) OPRM1CYP3A4PKMOPRL1SMN1; SMN2
SCHEMBL4157199 0.77 FFAR4 (0.39) OPRM1OPRL1OPRD1OPRK1CCR2
SCHEMBL18689716 0.76 DRD2 (0.44) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL3386011 0.76 KCNN4 (0.39) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL4159672 0.72 NR1H2 (0.43) CYP11B2SMN1; SMN2IDO1TDO2CCR2
SCHEMBL4152521 0.72 HDAC4 (0.39) OPRM1OPRL1KDM4EOPRD1OPRK1
SCHEMBL3325851 0.72 TACR1 (0.50) CYP11B2MAPT
SCHEMBL5122013 0.71 CNR2 (0.35) CNR2
SCHEMBL3387388 0.70 MC4R (0.40) OPRM1OPRL1OPRK1DRD2
SCHEMBL17350664 0.69 HSD11B1 (0.35) OPRM1CYP3A4SMN1; SMN2KDM4EPMP22

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-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 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-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 OPRM1 184/4885CYP11B2 901/4885CNR2 42/4885

“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.