SCHEMBL29445321

SCHEMBL29445321

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.52
CHRM3 P20309 9/20 0.48
CHRM2 P08172 8/20 0.48
ACHE P22303 1/20 0.47
OPRM1 P35372 3/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
OPRK1 P41145 2/20 0.46
CCR5 P51681 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6168606 1.00 OPRL1 (0.52) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL6168165 0.93 CHRM3 (0.49) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL8569508 0.93 MEN1 (0.53) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL8570369 0.93 CHRM3 (0.50) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL8565096 0.92 CCR5 (0.48) OPRL1CHRM3CHRM2ACHECCR5
SCHEMBL6167277 0.92 CHRM3 (0.53) OPRL1CHRM3CHRM2ACHEDRD2
SCHEMBL8564439 0.92 CHRM2 (0.55) OPRL1CHRM3CHRM2OPRM1DRD2
SCHEMBL8562946 0.91 CHRM3 (0.54) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL8571871 0.91 CHRM3 (0.54) OPRL1CHRM3CHRM2ACHEOPRM1
SCHEMBL8569557 0.91 CHRM2 (0.54) OPRL1CHRM3CHRM2ACHEOPRM1

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-11279672-B2 Asymmetric synthesis of alpha-branched chiral amines PIRAMAL PHARMA LIMITED (IN) 2022-03-22 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-11279672-B2 Asymmetric synthesis of alpha-branched chiral amines SLC6A12, BET1, BCAT2 OPRL1 1730/4885CHRM3 1114/4885CHRM2 746/4885

“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.