SCHEMBL2444882

SCHEMBL2444882

CN(C=O)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.54
CHKA P35790 1/20 0.54
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
HBB P68871 1/20 0.42
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A2 P23975 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33

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
Dimethylformamide SCHEMBL27793611 0.79 CHRM5 (0.73) CHRM5CHKAMAPTSMN1; SMN2KMT2A
Acetaldehyde SCHEMBL28505391 0.76 CHRM5 (0.76) CHRM5CHKAMAPTSMN1; SMN2KMT2A
SCHEMBL28470213 0.76 CHRM5 (0.54) CHRM5CHKAMAPTSMN1; SMN2KMT2A
SCHEMBL28288358 0.76 HCAR2 (0.33) CHRM5CHKA
SCHEMBL5526432 0.75 MEN1 (0.48) MAPTSMN1; SMN2KMT2AMEN1ALOX15
SCHEMBL66606 0.75 MEN1 (0.48) MAPTSMN1; SMN2KMT2AMEN1ALOX15
SCHEMBL29959966 0.75 MEN1 (0.48) MAPTSMN1; SMN2KMT2AMEN1ALOX15
SCHEMBL3648159 0.75 CHRM5 (0.46) CHRM5CHKAMAPTSMN1; SMN2KMT2A
SCHEMBL1332400 0.75 MEN1 (0.48) MAPTSMN1; SMN2KMT2AMEN1ALOX15
Formic Acid SCHEMBL27608719 0.74 CHRM5 (0.73) CHRM5CHKAMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
CN-1092653-C (4-piperidnyl)-1H-2-benzopyran derivatives useful as antipsychotic agents AVENTIS PHARMA INC (US) 2002-10-16 CN disclosed
EP-1015446-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS Aventis Pharmaceuticals Inc. (US) 2000-07-05 EP disclosed
CN-1246859-A (4-piperidnyl)-1H-2-benzopyran derivatives useful as antipsychotic agents HOECHST MARION ROUSSEL INC (US) 2000-03-08 CN disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
WO-1998034933-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-08-13 WO disclosed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 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 (2 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CHRM5 4705/4885CHKA 1583/4885MAPT 4262/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CHRM5 4810/4885CHKA 2915/4885MAPT 3695/4885

“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.