SCHEMBL2708013

SCHEMBL2708013

Cn1cc2c(n1)-c1ccccc1CC2

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.87
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SETD7 Q8WTS6 1/20 0.44
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HRH1 P35367 2/20 0.42
MMP12 P39900 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL2708714 0.93 DRD4 (1.00) DRD4ALDH1A1LMNAMAPTKDM4E
SCHEMBL2708017 0.85 DRD4 (0.70) DRD4ALDH1A1LMNAMAPTKDM4E
SCHEMBL16300880 0.78 DRD4 (0.56) DRD4ALDH1A1LMNAMAPTKDM4E
SCHEMBL8270276 0.77 DRD4 (0.59) DRD4ALDH1A1LMNAKDM4EGAA
SCHEMBL2707380 0.76 DRD4 (0.54) DRD4ALDH1A1LMNAMAPTKDM4E
SCHEMBL2706251 0.76 DRD4 (0.58) DRD4ALDH1A1LMNAMAPTKDM4E
SCHEMBL30703081 0.76 DRD4 (0.58) DRD4ALDH1A1LMNAMAPTKDM4E
SCHEMBL2708308 0.75 DRD4 (0.52) DRD4DRD2ACHE
SCHEMBL29842935 0.74 DRD4 (0.55) DRD4ALDH1A1LMNAKDM4EKMT2A
SCHEMBL2708066 0.74 DRD4 (0.51) DRD4ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL DRD4 4805/4885ALDH1A1 2509/4885LMNA 1882/4885

“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.