SCHEMBL425170

SCHEMBL425170

CCCCSc1nc(C)cc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
GPR84 Q9NQS5 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9274344 0.94 LMNA (0.57) LMNAL3MBTL1ATMALDH1A1HSD17B10
SCHEMBL12963696 0.87 LMNA (0.64) LMNAL3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL29241996 0.82 USP2 (0.54) LMNAL3MBTL1ATMALDH1A1HSD17B10
SCHEMBL18026634 0.79 LMNA (0.53) LMNAL3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL10769599 0.79 LMNA (0.53) LMNAL3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL266824 0.78 LMNA (0.70) LMNAL3MBTL1ATMALDH1A1HSD17B10
SCHEMBL3945346 0.78 RAB9A (0.49) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11737481 0.78 LMNA (0.51) LMNAATMALDH1A1HSD17B10KDM4E
SCHEMBL16322982 0.77 LMNA (0.52) LMNAL3MBTL1ALDH1A1HSD17B10MEN1
SCHEMBL5049080 0.77 GPR84 (0.49) LMNAL3MBTL1ALDH1A1HSD17B10MEN1

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 21 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
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
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
WO-2014205414-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-24 WO 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-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 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
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 (7 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 LMNA 3720/4885L3MBTL1 4596/4885ATM 4643/4885
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LMNA 3720/4885L3MBTL1 4596/4885ATM 4643/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 LMNA 3720/4885L3MBTL1 4596/4885ATM 4643/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO LMNA 2408/4885L3MBTL1 3421/4885ATM 2358/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LMNA 3720/4885L3MBTL1 4596/4885ATM 4643/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LMNA 3615/4885L3MBTL1 4613/4885ATM 4652/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 LMNA 3720/4885L3MBTL1 4596/4885ATM 4643/4885

“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.