SCHEMBL4151729

SCHEMBL4151729

CC(C)[C@]1(C(=O)N2CCC(O)(c3ccccc3)CC2)CC[C@@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ OPRM1 P35372 4/20 0.39
▸ OPRK1 P41145 4/20 0.39
▸ OPRL1 P41146 4/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ CCR1 P32246 3/20 0.37
▸ CCR2 P41597 2/20 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
SCHEMBL4151232 0.86 CCR2 (0.39) CCR2
SCHEMBL4146378 0.80 ALDH1A1 (0.46) ALDH1A1HSD11B1OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL4158819 0.79 ALDH1A1 (0.45) ALDH1A1HSD11B1OPRM1OPRK1OPRL1
SCHEMBL4137678 0.79 CCR2 (0.52) ALDH1A1CCR2
SCHEMBL4137986 0.78 HSD11B1 (0.45) ALDH1A1HSD11B1OPRM1OPRK1OPRL1
SCHEMBL13613407 0.76 TSHR (0.42) HSD11B1OPRM1OPRK1OPRL1CCR1
SCHEMBL15324776 0.73 CCR2 (0.65) CCR2
SCHEMBL4147876 0.73 CCR2 (0.57) CA12CA1CA2CA9CCR2
SCHEMBL4146262 0.71 CCR2 (0.57) CCR2
SCHEMBL4138305 0.71 CCR2 (0.49) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
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 ALDH1A1 1697/4885HSD11B1 1469/4885OPRM1 184/4885

“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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