SCHEMBL4648771

SCHEMBL4648771

N#CC1(c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.38
OPRL1 P41146 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PSMB8 P28062 1/20 0.33
PDE7A Q13946 1/20 0.33
CCR1 P32246 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18742507 0.91 SLC6A4 (0.38) OPRM1OPRL1KDM4EALDH1A1L3MBTL1
SCHEMBL28692309 0.86 CYP2A13 (0.36) OPRM1OPRL1KDM4EALDH1A1
SCHEMBL31459234 0.86 HDAC4 (0.43) OPRM1OPRL1SLC6A4SLC6A3TSHR
SCHEMBL5642482 0.86 HDAC4 (0.43) OPRM1OPRL1KDM4EALDH1A1L3MBTL1
SCHEMBL31459378 0.86 HDAC4 (0.43) OPRM1OPRL1KDM4EALDH1A1L3MBTL1
SCHEMBL31454418 0.86 OPRM1 (0.33) OPRM1OPRL1KDM4EALDH1A1L3MBTL1
SCHEMBL14921048 0.80 OPRM1 (0.37) OPRM1OPRL1ALDH1A1SLC6A4SLC6A3
SCHEMBL1020364 0.79 HDAC4 (0.48) OPRL1KDM4EALDH1A1L3MBTL1SLC6A4
SCHEMBL31459475 0.78 ADRA1A (0.41) OPRM1OPRL1SLC6A4LMNATSHR
SCHEMBL4555845 0.78 ADRA1A (0.41) OPRM1OPRL1SLC6A4LMNATSHR

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
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 US claimed
US-20080312220-A1 Oxadiazole Derivatives with Crth2 Receptor Activity 7TM PHARMA A/S (DK) 2008-12-18 US disclosed
EP-1960376-A1 OXADIAZOLE DERIVATIVES WITH CRTH2 RECEPTOR ACTIVITY 7TM Pharma A/S (DK) 2008-08-27 EP disclosed
WO-2007062773-A1 OXADIAZOLE DERIVATIVES WITH CRTH2 RECEPTOR ACTIVITY 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 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-20080312220-A1 Oxadiazole Derivatives with Crth2 Receptor Activity HRH2, HRH1, HRH3 OPRM1 701/4885OPRL1 569/4885KDM4E 3696/4885

“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.