SCHEMBL6833922

SCHEMBL6833922

N#CC(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
OPRM1 P35372 2/20 0.53
DRD3 P35462 2/20 0.53
CYP2D6 P10635 2/20 0.53
CHRM3 P20309 4/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
KCNA3 P22001 8/20 0.47
TAAR1 Q96RJ0 1/20 0.46
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
CCR3 P51677 1/20 0.41

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
SCHEMBL6258542 0.81 DRD2 (0.68) ATMDRD2DRD4OPRM1DRD3
SCHEMBL5857455 0.79 ATM (0.57) ATMDRD2DRD4OPRM1DRD3
SCHEMBL10668664 0.78 KIF11 (0.42) ATMDRD2DRD4OPRM1DRD3
SCHEMBL28141509 0.77 TAAR1 (0.46) ATMDRD2DRD4OPRM1DRD3
SCHEMBL3979738 0.77 CYP2D6 (0.58) ATMDRD2DRD4OPRM1DRD3
SCHEMBL11712752 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL651852 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL10796236 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL2066381 0.77 ATM (0.55) ATMDRD2DRD4OPRM1DRD3
SCHEMBL1343715 0.76 ATM (0.81) ATMDRD2DRD4OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759503-B2 CYANOETHYLATED TOLUENEDIAMINES (CNTDAS), PROCESSES FOR SYNTHESIZING THEM, AND COMPOSITIONS CONTAINING THEM THE CNTDAS ARE PARTICULARLY SUITABLE FOR USE AS LATENT CURING AGENTS FOR EPOXY RESINS. AIR PRODUCTS AND CHEMICALS, INC. 2004-07-06 US disclosed
US-20030144540-A1 N-cyanoethylated ortho and meta toluenediamine compositions and process for making them STARNER WILLIAM EDWARD (US) 2003-07-31 US disclosed
US-6593487-B1 Latent curing agents for epoxy resins AIR PRODUCTS AND CHEMICALS, INC. 2003-07-15 US disclosed
EP-1321459-A2 N-Cyanoethylated ortho and meta toluenediamine compositions and process for making them AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-06-25 EP disclosed
EP-1321453-A2 N-(Aminopropyl)-toluenediamines and their use as epoxy curing agents AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-06-25 EP disclosed
US-6441238-B1 USING N-AMINOPROPYLTOLUENEDIAMINE AIR PRODUCTS AND CHEMICALS, INC. 2002-08-27 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 (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-20030144540-A1 N-cyanoethylated ortho and meta toluenediamine compositions and process for making them DNMT1, PNMT, TET1 ATM 807/4885DRD2 113/4885DRD4 107/4885

“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.