SCHEMBL1844542

SCHEMBL1844542

O=C(NC1CCNCC1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HPGD P15428 1/20 0.72
UTS2R Q9UKP6 1/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
EPHX1 P07099 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL12531247 0.91 ALDH1A1 (0.64) ALDH1A1HPGDUTS2RKMT2ANPC1
SCHEMBL4167189 0.89 ALDH1A1 (0.84) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL11463346 0.88 ALDH1A1 (0.57) ALDH1A1HPGDUTS2RKMT2ANPC1
SCHEMBL8062381 0.84 ALDH1A1 (1.00) ALDH1A1HPGDNPC1LMNAKDM4E
SCHEMBL28404651 0.81 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL14934861 0.81 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL13837808 0.81 ALDH1A1 (0.48) ALDH1A1HPGDUTS2REPHX1GAA
SCHEMBL6206231 0.81 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL6206225 0.81 ALDH1A1 (0.72) ALDH1A1HPGDKMT2ANPC1LMNA
SCHEMBL28407968 0.77 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325183-A1 4-(2-Furoyl) Aminopiperidine compound useful as therapeutic agent for itching Kyorin Pharmaceutical Co., Ltd. (JP) 2011-05-25 EP disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
CN-100582103-C 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN SEIYAKU KK 2010-01-20 CN disclosed
US-7601843-B2 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-10-13 US disclosed
US-7601843-B2 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-10-13 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
EP-1621538-A4 4-(2-FUROYL)AMINOPIPERIDINE COMPOUND USEFUL AS THERAPEUTIC AGENT FOR ITCHING KYORIN SEIYAKU KK (JP) 2009-07-29 EP disclosed
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
CN-1582286-A Novel 4-2-furoylaminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN SEIYAKU KK (JP) 2005-02-16 CN disclosed
CN-1582286-A Novel 4-2-furoylaminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN SEIYAKU KK (JP) 2005-02-16 CN disclosed
JP-2004352714-A NEW 4-(2-FUROYL)AMINOPIPERIDINE DERIVATIVE KYORIN PHARMACEUT CO LTD 2004-12-16 JP disclosed
WO-2004099194-A1 4-(2-FUROYL)AMINOPIPERIDINE COMPOUND USEFUL AS THERAPEUTIC AGENT FOR ITCHING KYORIN PHARMACEUTICAL CO. LTD. (JP) 2004-11-18 WO disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
WO-2003035645-A1 NOVEL 4-(2-FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-01 WO disclosed
WO-2003035645-A1 NOVEL 4-(2-FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-01 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 (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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR ALDH1A1 1998/4885HPGD 1022/4885UTS2R 1869/4885
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same OPRM1, OPRD1, HRH4 ALDH1A1 2958/4885HPGD 1099/4885UTS2R 71/4885

“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.