SCHEMBL424992

SCHEMBL424992

CCCCSc1cc(C)oc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PTGS2 P35354 4/20 0.36
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11686616 0.88 KDM4E (0.32) NPC1RAB9ASMN1; SMN2PTGS2KDM4E
SCHEMBL4572609 0.79 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11620219 0.73 KDM4E (0.31) KDM4E
SCHEMBL12264586 0.73 PTGS2 (0.38) SMN1; SMN2PTGS2GPR84HTTKMT2A
SCHEMBL11051079 0.73 TLR8 (0.42) NPC1RAB9ASMN1; SMN2TSHRTLR8
SCHEMBL10906528 0.70 TLR8 (0.43) NPC1RAB9ASMN1; SMN2TLR8PTGS2
SCHEMBL5163702 0.69 NQO1 (0.38) RAB9AKDM4EHPGDHSD17B10MEN1
SCHEMBL3508454 0.69 NQO1 (0.38) RAB9AKDM4EMEN1KMT2A
SCHEMBL423425 0.69 PTGS2 (0.39) NPC1RAB9ASMN1; SMN2TSHRTLR8
SCHEMBL6911625 0.68 TLR8 (0.46) NPC1RAB9ASMN1; SMN2TLR8PTGS2

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 17 patents. 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-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-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-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-0562069-B1 METHOD OF PREPARING 3-(S)-FURAN DERIVATIVES GIVAUDAN ROURE INT (CH) 1996-06-19 EP disclosed
US-5470991-A Process for the manufacture of furan derivatives GIVAUDAN-ROURE CORPORATION (US) 1995-11-28 US disclosed
EP-0562069-A1 METHOD OF PREPARING 3-(S)-FURAN DERIVATIVES. GIVAUDAN ROURE INT (CH) 1993-09-29 EP disclosed
WO-1993007134-A1 METHOD OF PREPARING 3-(S)-FURAN DERIVATIVES GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1993-04-15 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 (5 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-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885SMN1; SMN2 1192/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885SMN1; SMN2 1192/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885SMN1; SMN2 1192/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 669/4885RAB9A 504/4885SMN1; SMN2 1143/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885SMN1; SMN2 1192/4885

“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.