SCHEMBL4137986

SCHEMBL4137986

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CCR2 P41597 5/20 0.42
▸ OPRM1 P35372 3/20 0.41
▸ OPRK1 P41145 3/20 0.41
▸ OPRL1 P41146 3/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CCR1 P32246 4/20 0.41
▸ NPY1R P25929 1/20 0.39

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
SCHEMBL13613407 0.87 TSHR (0.42) HSD11B1CCR2OPRM1OPRK1OPRL1
SCHEMBL3326250 0.84 CCR2 (0.46) CCR2CCR5
SCHEMBL4483040 0.84 CCR2 (0.46) CCR2CCR5
SCHEMBL4146378 0.83 ALDH1A1 (0.46) HSD11B1ALDH1A1OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL4158819 0.82 ALDH1A1 (0.45) HSD11B1ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL4141218 0.78 CCR2 (0.64) CCR2CCR5CCR1
SCHEMBL6015055 0.78 CCR2 (0.64) CCR2CCR5CCR1
SCHEMBL13741551 0.78 CCR2 (0.64) CCR2CCR5CCR1
SCHEMBL3325095 0.78 CCR2 (0.59) ALDH1A1CCR2ALOX15CCR1
SCHEMBL4151729 0.78 ALDH1A1 (0.41) HSD11B1ALDH1A1CCR2OPRM1OPRK1

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 4 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-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 — — US disclosed
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 — — 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 (2 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-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 HSD11B1 1469/4885ALDH1A1 1697/4885CCR2 4/4885
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 HSD11B1 1469/4885ALDH1A1 1697/4885CCR2 4/4885

“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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