SCHEMBL13613407

SCHEMBL13613407

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CCR2 P41597 9/20 0.40
▸ CCR5 P51681 6/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ CCR1 P32246 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
SCHEMBL4137986 0.87 HSD11B1 (0.45) ALOX15HSD11B1CCR2CCR5OPRM1
SCHEMBL13334973 0.86 CCR2 (0.43) CCR2CCR5
SCHEMBL13361946 0.86 CCR2 (0.43) CCR2CCR5
SCHEMBL13334971 0.80 CCR2 (0.55) TSHRALOX15DRD2KMT2AL3MBTL1
SCHEMBL4146378 0.77 ALDH1A1 (0.46) HSD11B1OPRM1OPRK1OPRL1CCR1
Hydrochloric Acid SCHEMBL4158819 0.76 ALDH1A1 (0.45) HSD11B1OPRM1OPRK1OPRL1CCR1
SCHEMBL4151729 0.76 ALDH1A1 (0.41) HSD11B1CCR2OPRM1OPRK1OPRL1
SCHEMBL13334915 0.76 CCR2 (0.70) CCR2CCR5
SCHEMBL13741551 0.76 CCR2 (0.64) CCR2CCR5CCR1
SCHEMBL4141218 0.76 CCR2 (0.64) CCR2CCR5CCR1

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-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

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 TSHR 1220/4885ALOX15 1113/4885DRD2 1699/4885

“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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