SCHEMBL12563594

SCHEMBL12563594

O[C@]1(c2ccccc2)CC[C@@H](N2CCOCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 7/20 0.65
▸ TACR1 P25103 2/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CCR1 P32246 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43

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
SCHEMBL12563610 1.00 OPRL1 (0.65) OPRL1TACR1HTR1DALDH1A1CCR1
Hydrochloric Acid SCHEMBL11075754 0.78 OPRL1 (1.00) OPRL1TACR1KDM1AMAOBOPRM1
SCHEMBL14549659 0.78 OPRL1 (0.60) OPRL1TACR1KDM1AMAOB
Hydrochloric Acid SCHEMBL14482843 0.77 OPRL1 (0.61) OPRL1TACR1KDM1AMAOB
Hydrochloric Acid SCHEMBL14482780 0.77 OPRL1 (0.61) OPRL1TACR1KDM1AMAOB
Hydrochloric Acid SCHEMBL14482782 0.77 OPRL1 (0.61) OPRL1TACR1KDM1AMAOB
SCHEMBL1255944 0.75 OPRL1 (0.52) OPRL1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL23269635 0.75 CCR1 (0.53) OPRL1CCR1OPRM1OPRD1OPRK1
SCHEMBL14881788 0.74 OPRL1 (0.56) OPRL1TACR1ALDH1A1KDM1AMAOB
SCHEMBL14881787 0.74 OPRL1 (0.56) OPRL1TACR1ALDH1A1KDM1AMAOB

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-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 — — 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-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 OPRL1 34/4885TACR1 75/4885HTR1D 713/4885

“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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