SCHEMBL4270301

SCHEMBL4270301

O=C(C1CC1)N1CCC(N2CCC(N3C(=O)NCC4CCCC[C@@H]43)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRL1 P41146 4/20 0.43
OPRK1 P41145 2/20 0.41
KMT2A Q03164 2/20 0.38
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
MEN1 O00255 1/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL4270305 1.00 OPRM1 (0.43) OPRM1OPRL1OPRK1KMT2AACACB
SCHEMBL3406561 1.00 OPRM1 (0.43) OPRM1OPRL1OPRK1KMT2AACACB
SCHEMBL4344641 0.85 OPRM1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL4344823 0.84 OPRM1 (0.59) OPRM1OPRL1OPRK1
SCHEMBL3404628 0.81 OPRM1 (0.45) OPRM1OPRL1OPRK1ACACBACACA
SCHEMBL4425740 0.81 CHRM1 (0.51) OPRM1OPRL1ALDH1A1
SCHEMBL3405713 0.81 CHRM1 (0.51) OPRM1OPRL1ALDH1A1
SCHEMBL3410347 0.80 OPRM1 (0.48) OPRM1OPRL1OPRK1L3MBTL3
SCHEMBL3409660 0.80 OPRM1 (0.43) OPRM1OPRL1OPRK1HPGD
SCHEMBL1928278 0.80 OPRL1 (0.70) OPRM1OPRL1OPRK1KMT2AACACB

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-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 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-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 OPRM1 6/4885OPRL1 7/4885OPRK1 32/4885

“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.