SCHEMBL3404750

SCHEMBL3404750

O=C(O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
AKR1C3 P42330 1/20 0.57
CHKA P35790 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
CYP2C9 P11712 3/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
ADRB2 P07550 1/20 0.50
NCF1 P14598 1/20 0.50
PLD1 Q13393 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
HIF1A Q16665 2/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
KMT2A Q03164 1/20 0.49
ITGB3 P05106 2/20 0.48

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
SCHEMBL8838202 0.95 AKR1C3 (0.54) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
Hydrochloric Acid SCHEMBL7961524 0.89 CYP2C9 (0.48) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
Hydrochloric Acid SCHEMBL7961417 0.89 CYP2C9 (0.48) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
SCHEMBL16599286 0.86 AKR1C3 (0.58) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
SCHEMBL641121 0.84 CYP2C9 (0.75) SMN1; SMN2CYP2C9TSHRCYP3A4ALDH1A1
SCHEMBL1283460 0.83 SMN1; SMN2 (0.55) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
SCHEMBL6603738 0.83 CYP2C9 (0.73) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
SCHEMBL631962 0.82 ALDH1A1 (0.69) AKR1C3CYP2C9TSHRCYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL7016364 0.81 AKR1C3 (0.58) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9
SCHEMBL28112415 0.81 CHKA (0.80) SMN1; SMN2AKR1C3CHKATRPV1CYP2C9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed
CN-1798735-A 1-aryl-4- (aryloxycarbonyl) -piperazine derivatives as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-05 CN claimed
EP-1419150-B1 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2005-04-27 EP claimed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN claimed
EP-1419150-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2004-05-19 EP claimed
WO-2003008407-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-01-30 WO claimed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
CN-1798735-A 1-aryl-4- (aryloxycarbonyl) -piperazine derivatives as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-05 CN disclosed
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
WO-2003008407-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-01-30 WO disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
CN-1362947-A N-cyanomethylamides as protease inhibitors AXYS PHARM INC (US) 2002-08-07 CN disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SMN1; SMN2 3462/4885AKR1C3 2460/4885CHKA 862/4885
US-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 SMN1; SMN2 1173/4885AKR1C3 782/4885CHKA 2118/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SMN1; SMN2 3462/4885AKR1C3 2460/4885CHKA 862/4885

“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.