SCHEMBL4920008

SCHEMBL4920008

O=c1[nH]c2ccccc2n1C1CCCN(CC2CCCCCCC2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.77
OPRL1 P41146 6/20 0.77
OPRK1 P41145 5/20 0.77
CHRM1 P11229 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
CHRM3 P20309 1/20 0.61
OPRD1 P41143 1/20 0.53
SLC18A3 Q16572 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4920194 0.94 OPRM1 (0.86) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL14186018 0.87 OPRM1 (1.00) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL4921324 0.87 OPRM1 (1.00) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL4922697 0.87 OPRM1 (1.00) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL4913077 0.87 OPRM1 (1.00) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL6585522 0.87 OPRM1 (1.00) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL6591096 0.85 OPRM1 (0.97) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL4918567 0.81 OPRL1 (0.69) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL4914826 0.81 OPRL1 (0.69) OPRM1OPRL1OPRK1CHRM1CHRM2
SCHEMBL3146496 0.81 CHRM2 (0.83) OPRM1OPRL1OPRK1CHRM1CHRM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103163-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
US-20080103162-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-20040116450-A1 Antipruritics NIPPON SHINYAKU CO., LTD. (JP) 2004-06-17 US disclosed
EP-1371376-A1 ANTIPRURITICS Nippon Shinyaku Co., Ltd. (JP) 2003-12-17 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP 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 (2 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-20080103162-A1 Antipruritics ITCH, NTSR1, OPRL1 OPRM1 158/4885OPRL1 3/4885OPRK1 37/4885
US-20080103163-A1 Antipruritics ITCH, OPRL1, NTSR1 OPRM1 135/4885OPRL1 2/4885OPRK1 25/4885

“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.