SCHEMBL4072363

SCHEMBL4072363

OC1(c2cccc(F)c2)CC[CH]CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
KDM1A O60341 2/20 0.44
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL23232239 0.88 OPRL1 (0.59) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL23231376 0.85 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL17982783 0.85 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL3639977 0.80 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL3153964 0.80 OPRM1 (0.52) OPRL1OPRM1OPRD1OPRK1KDM1A
Hydrochloric Acid SCHEMBL2267897 0.79 OPRM1 (0.51) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL13452593 0.77 OPRD1 (0.61) OPRL1OPRM1OPRD1OPRK1SLC6A2
SCHEMBL731991 0.76 OPRL1 (0.49) OPRL1OPRM1OPRD1OPRK1KDM1A
SCHEMBL7811311 0.76 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1
SCHEMBL9923528 0.76 SLC6A4 (0.48) OPRL1OPRM1OPRD1OPRK1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 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 (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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 OPRL1 20/4885OPRM1 5/4885OPRD1 1/4885

“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.