SCHEMBL6448504

SCHEMBL6448504

COc1cccc(C2(C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
OPRD1 P41143 3/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
KCNH2 Q12809 1/20 0.50
SLC6A4 P31645 5/20 0.48
ACHE P22303 1/20 0.47
SLC6A2 P23975 4/20 0.47
OPRM1 P35372 3/20 0.47
SLC6A3 Q01959 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 1/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47

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
SCHEMBL6446868 0.91 SLC6A4 (0.50) KDM1AOPRD1KMT2ACA1CA2
SCHEMBL28001878 0.88 ADRB1 (0.49) KDM1AOPRD1KMT2ACA1CA2
SCHEMBL28367891 0.82 OPRD1 (0.41) KDM1AOPRD1KMT2AKCNH2SLC6A4
SCHEMBL8842426 0.81 SLC6A2 (0.48) KDM1AOPRD1KMT2ACA1CA2
SCHEMBL13959797 0.80 NPY1R (0.46) KDM1AOPRD1KCNH2
SCHEMBL12477851 0.78 LMNA (0.51) KMT2AOPRM1OPRL1
SCHEMBL31557718 0.78 OPRM1 (0.64) KDM1AOPRD1KMT2ASLC6A4SLC6A2
SCHEMBL3159689 0.78 KDM1A (0.57) KDM1AOPRD1KMT2ACA1CA2
SCHEMBL4573102 0.78 KDM1A (0.53) KDM1AOPRD1KMT2ACA1CA2
SCHEMBL28425450 0.78 CA1 (0.52) KDM1AOPRD1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271160-A1 HCV POLYMERASE INHIBITORS MEDIVIR AB (SE) 2016-09-22 US disclosed
EP-1527077-A2 PYRROLOPYRAZINES AS KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-05-04 EP disclosed
WO-2004016614-A2 PYRROLOPYRAZINES AS KINASE INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-02-26 WO 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-20160271160-A1 HCV POLYMERASE INHIBITORS POLI, POLB, POLL KDM1A 3222/4885OPRD1 801/4885KMT2A 2713/4885

“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.