SCHEMBL3401952

SCHEMBL3401952

NC(=O)C1CCN(C(=O)CO)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
PKM P14618 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 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
SCHEMBL14949540 0.88 GAA (0.47) GAATDP1SMN1; SMN2PKMALDH1A1
SCHEMBL16405708 0.84 SMN1; SMN2 (0.47) GAATDP1SMN1; SMN2PKMALDH1A1
SCHEMBL9492517 0.83 GAA (0.55) GAATDP1SMN1; SMN2PKMALDH1A1
SCHEMBL12396072 0.82 GAA (0.62) GAATDP1SMN1; SMN2PKMALDH1A1
SCHEMBL22481574 0.82 ALDH1A1 (0.60) GAATDP1SMN1; SMN2PKMALDH1A1
SCHEMBL3221432 0.82 GAA (0.53) GAATDP1SMN1; SMN2PKMALDH1A1
SCHEMBL3400610 0.81 GAA (0.57) GAATDP1SMN1; SMN2PKMKMT2A
SCHEMBL1970601 0.81 L3MBTL1 (0.56) GAASMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL12436034 0.79 ALDH1A1 (0.42) GAASMN1; SMN2PKMALDH1A1MAPT
SCHEMBL12991627 0.79 GAA (0.59) GAATDP1SMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-10-01 US disclosed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
EP-2921495-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-03-28 EP disclosed
EP-2921492-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES BAYER IP GMBH (DE) 2017-09-06 EP disclosed
EP-2921493-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES BAYER IP GMBH (DE) 2017-08-16 EP disclosed
EP-2921491-B1 INTERMEDIATES FOR THE PRODUCTION OF HETEROARYLPIPERIDINE AND - HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2017-08-16 EP disclosed
US-20160200720-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-14 US disclosed
EP-2921492-A1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921484-A1 OXAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921491-A1 INTERMEDIATES FOR THE PRODUCTION OF HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921485-A1 ISOXAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921493-A1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (4 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-20160200720-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 GAA 1939/4885TDP1 2070/4885SMN1; SMN2 3201/4885
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 GAA 1717/4885TDP1 2080/4885SMN1; SMN2 3589/4885
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 GAA 1717/4885TDP1 2080/4885SMN1; SMN2 3589/4885
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 GAA 1939/4885TDP1 2070/4885SMN1; SMN2 3201/4885

“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.