SCHEMBL2708017

SCHEMBL2708017

Cn1cc2c(n1)-c1ccccc1C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.70
DRD1 P21728 2/20 0.45
DRD3 P35462 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
DRD2 P14416 1/20 0.42
DRD5 P21918 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPT P10636 2/20 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
SCHEMBL2708013 0.85 DRD4 (0.87) DRD4CHRM2HTR1ACHRM1ADRA1A
SCHEMBL2708714 0.82 DRD4 (1.00) DRD4DRD2KDM4EMAPTTSHR
SCHEMBL2706251 0.76 DRD4 (0.58) DRD4DRD1DRD3CHRM2HTR1A
SCHEMBL30703081 0.76 DRD4 (0.58) DRD4DRD1DRD3CHRM2HTR1A
SCHEMBL2708708 0.74 DRD4 (0.47) DRD4DRD1DRD3CHRM2HTR1A
SCHEMBL29842935 0.74 DRD4 (0.55) DRD4CHRM1DRD2KDM4ETP53
SCHEMBL2707385 0.74 DRD2 (0.46) DRD4DRD1DRD3DRD2DRD5
SCHEMBL2710444 0.74 DRD1 (0.50) DRD4DRD1DRD3DRD2DRD5
SCHEMBL2710575 0.73 ACHE (0.47) DRD4DRD1DRD3DRD2DRD5
SCHEMBL8270276 0.70 DRD4 (0.59) DRD4HTR1ADRD2KDM4EMMP12

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-9150553-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-06 US disclosed
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
US-8436034-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2013-05-07 US disclosed
US-20110059968-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-03-10 US disclosed
US-20100298326-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-11-25 US disclosed
US-7799809-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2010-09-21 US disclosed
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-09-25 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 (4 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-20100298326-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 DRD4 4323/4885DRD1 4005/4885DRD3 3742/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 DRD4 4323/4885DRD1 4005/4885DRD3 3742/4885
US-20110059968-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN2, CAPN1, CAPNS1 DRD4 3705/4885DRD1 4040/4885DRD3 2529/4885
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 4805/4885DRD1 4710/4885DRD3 4695/4885

“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.