SCHEMBL424824

SCHEMBL424824

CCCCSc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DDAH1 O94760 1/20 0.42
NOS1 P29475 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
XDH P47989 1/20 0.41
SLC2A1 P11166 1/20 0.40
NPC1 O15118 2/20 0.39
AR P10275 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9743357 0.92 GPR84 (0.46) MAOAMAOBCYP3A4CYP2D6CYP1A2
SCHEMBL9742985 0.92 GPR84 (0.46) MAOAMAOBCYP3A4CYP2D6CYP1A2
SCHEMBL14107672 0.86 CYP3A4 (0.48) MAOAMAOBCYP3A4CYP2D6CYP1A2
SCHEMBL18655795 0.86 CYP1A2 (0.52) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL5887468 0.84 MAOA (0.62) MAOAMAOBMAPTKDM4EALDH1A1
SCHEMBL8966315 0.82 KDM4E (0.47) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL8967318 0.82 NAAA (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL8966693 0.82 KDM4E (0.47) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL8966742 0.82 NAAA (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL8966863 0.82 KDM4E (0.47) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
CN-104937416-B chemical sensing device 惠普发展公司,有限责任合伙企业 2017-04-12 CN disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
CN-104937416-A Chemical sensing device HEWLETT PACKARD DEVELOPMENT CO 2015-09-23 CN disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8420623-B2 N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420623-B2 N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US 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 (6 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAOA 6/4885MAOB 5/4885CYP3A4 380/4885
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAOA 6/4885MAOB 5/4885CYP3A4 380/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 MAOA 6/4885MAOB 5/4885CYP3A4 380/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAOA 6/4885MAOB 5/4885CYP3A4 380/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAOA 6/4885MAOB 5/4885CYP3A4 393/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAOA 6/4885MAOB 5/4885CYP3A4 380/4885

“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.