SCHEMBL2708708

SCHEMBL2708708

Cn1cc2c(n1)Cc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
METAP2 P50579 1/20 0.41
DRD1 P21728 2/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2707380 0.84 DRD4 (0.54) DRD4CHRM2HTR1ACHRM1ADRA1A
SCHEMBL2708017 0.74 DRD4 (0.70) DRD4METAP2DRD1DRD3CHRM2
SCHEMBL30923211 0.74 DRD4 (0.41) DRD4DRD1DRD3CHRM2HTR1A
SCHEMBL12786410 0.69 METAP2 (0.40) METAP2DRD1DRD3CHRM2HTR1A
Fluorene SCHEMBL28150649 0.67 MAOA (0.62) DRD4DRD1DRD3CHRM2HTR1A
SCHEMBL20635638 0.67 DRD4 (0.48) DRD4KCNH2KDM4ELMNA
Fluorene SCHEMBL31388525 0.67 MAOA (0.68) METAP2DRD1DRD3CHRM2HTR1A
Fluorene SCHEMBL29478468 0.67 MAOA (0.68) METAP2DRD1DRD3CHRM2HTR1A
Fluorene SCHEMBL29355380 0.67 MAOA (0.68) METAP2DRD1DRD3CHRM2HTR1A
Fluorene SCHEMBL545861 0.67 MAOA (0.68) METAP2DRD1DRD3CHRM2HTR1A

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 4323/4885METAP2 1407/4885DRD1 4005/4885
US-20080234330-A1 Carboxamide compounds and their use as calpain inhibitors CAMK2A, CAPN2, CAPN1 DRD4 4323/4885METAP2 1407/4885DRD1 4005/4885
US-20110059968-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN2, CAPN1, CAPNS1 DRD4 3705/4885METAP2 1938/4885DRD1 4040/4885
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 4805/4885METAP2 3002/4885DRD1 4710/4885

“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.