SCHEMBL18899397

SCHEMBL18899397

CC1(C)C[C@@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 1.00
ICMT O60725 10/20 0.70
HTR1A P08908 1/20 0.64
HTR7 P34969 1/20 0.64
HTR6 P50406 1/20 0.64
OPRD1 P41143 1/20 0.61

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
SCHEMBL12542194 1.00 OPRM1 (1.00) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL19937128 0.92 OPRM1 (0.84) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12541297 0.92 OPRM1 (0.84) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL19614667 0.90 OPRM1 (0.82) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12541950 0.90 OPRM1 (0.81) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12697585 0.89 OPRM1 (0.80) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL19936875 0.88 HTR1A (0.82) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL12541340 0.87 OPRM1 (0.77) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL18886950 0.87 OPRM1 (1.00) OPRM1ICMTHTR1AHTR7HTR6
SCHEMBL18886938 0.86 OPRM1 (0.75) OPRM1ICMTHTR1AHTR7HTR6

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
EP-2688403-B1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME TREVENA INC (US) 2017-05-31 EP disclosed
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-10-01 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-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, ATRIP, CHEK1 OPRM1 4802/4885ICMT 2306/4885HTR1A 4061/4885

“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.