SCHEMBL2850382

SCHEMBL2850382

N#CCCNCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.59
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
KCNH2 Q12809 2/20 0.52
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
ATM Q13315 1/20 0.47
TAAR1 Q96RJ0 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
SCHEMBL4428984 0.90 SIGMAR1 (0.57) SIGMAR1DRD2DRD4OPRM1DRD3
SCHEMBL12500369 0.89 SIGMAR1 (0.66) SIGMAR1DRD2DRD4OPRM1DRD3
SCHEMBL7859218 0.89 SIGMAR1 (0.70) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL12500566 0.87 SIGMAR1 (0.67) SIGMAR1DRD2DRD4OPRM1DRD3
SCHEMBL11800470 0.85 SIGMAR1 (0.72) SIGMAR1
SCHEMBL283735 0.82 SIGMAR1 (0.81) SIGMAR1GAAMAPTKCNH2CA12
SCHEMBL2238594 0.82 CA12 (0.57) SIGMAR1DRD2DRD4OPRM1DRD3
SCHEMBL421501 0.82 MEN1 (0.64) SIGMAR1DRD4GAAMAPT
SCHEMBL12500393 0.81 SIGMAR1 (0.70) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL8140699 0.80 SIGMAR1 (0.77) SIGMAR1GAAMAPTKCNH2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
CN-111056974-A Preparation method of N-cyanoethyl-N-phenethylaniline 烟台安诺其精细化工有限公司 2020-04-24 CN disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
US-5068064-A Antiseptics, microbiocides or antiseptics SANOFI (FR) 1991-11-26 US disclosed
EP-0086450-B1 SUBSTITUTED PHENYLPYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICINES BASED ON THESE COMPOUNDS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-28 EP disclosed
EP-0086450-A2 Substituted phenylpyrazole derivatives, process for their preparation, medicines based on these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-24 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 (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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 SIGMAR1 1872/4885DRD2 760/4885DRD4 200/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 SIGMAR1 694/4885DRD2 3601/4885DRD4 3998/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 SIGMAR1 694/4885DRD2 3601/4885DRD4 3998/4885

“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.