SCHEMBL3266995

SCHEMBL3266995

Cc1cccc(-c2cccc(C#N)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
CCR1 P32246 1/20 0.50
CCR8 P51685 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GRM5 P41594 3/20 0.49
XDH P47989 1/20 0.49
CYP2A6 P11509 1/20 0.49
ADORA2A P29274 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
SCHEMBL10431256 0.82 GABRA1 (0.59) IDO1CTSSCTSKCLK4GRM5
SCHEMBL3265486 0.82 CCR1 (0.54) CCR1CCR8CYP2A6
SCHEMBL11990860 0.81 CCR1 (0.68) CCR1CCR8CYP2A6
SCHEMBL3270284 0.81 GRM5 (0.48) CCR1CCR8GRM5
SCHEMBL9792980 0.81 CTSS (0.62) IDO1CTSSCTSKCLK4GRM5
SCHEMBL20632236 0.80 CTSS (0.49) IDO1CTSSCTSKCLK4GRM5
SCHEMBL901316 0.79 ASIC3 (0.56) IDO1CTSSCTSKCLK4GRM5
SCHEMBL14224770 0.79 CTSS (0.48) IDO1CTSSCTSKCLK4GRM5
SCHEMBL20710587 0.79 XDH (0.49) IDO1CTSSCTSKCLK4GRM5
SCHEMBL31663577 0.79 CLK4 (0.53) CTSSCTSKCLK4GRM5ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017137743-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137742-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 US disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
CN-100497333-C Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
CN-1633430-A Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (3 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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 IDO1 4288/4885CTSS 274/4885CTSK 377/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 IDO1 4319/4885CTSS 553/4885CTSK 859/4885
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 IDO1 786/4885CTSS 4187/4885CTSK 4196/4885

“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.