SCHEMBL299231

SCHEMBL299231

C=C[CH]Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
PLIN1 O60240 1/20 0.38
HTT P42858 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.31
FFAR1 O14842 1/20 0.30

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
Phenyl Vinyl Sulfide SCHEMBL230858 0.78
Phenyl Vinyl Sulfide SCHEMBL1330739 0.78
Phenyl Vinyl Sulfide SCHEMBL1331428 0.78
Phenyl Vinyl Sulfide SCHEMBL1331664 0.78
SCHEMBL5144455 0.75 ALDH1A1 (0.44) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL5144450 0.75 ALDH1A1 (0.44) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Diphenylsulfane SCHEMBL2932392 0.72 MAOA (0.46) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9517370 0.71 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9517373 0.71 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL8540596 0.71 MAPT (0.50) MAPTHPGDSMN1; SMN2MGLLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4639462-A Heterocyclo-hydroxyalkyl-azolyl derivatives and use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US claimed
US-4632932-A TRIAZOLYL-DIOXOLANYL OR DIOXANYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1986-12-30 US claimed
US-4185106-A Pyridones as antidandruff agents HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-22 US claimed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 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-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-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-1881975-B1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2014-01-08 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed
US-4639462-A Heterocyclo-hydroxyalkyl-azolyl derivatives and use as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
EP-0097822-A1 Aminomethyldioxolanes as parasiticides BAYER AG (DE) 1984-01-11 EP disclosed
US-4080474-A ALLYLOXY BENZENE OR ALLYLTHIO BENZENE DERIVATIVES BEECHAM GROUP LIMITED (EN) 1978-03-21 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 (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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 MAPT 1263/4885HPGD 1739/4885SMN1; SMN2 1192/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAPT 1263/4885HPGD 1739/4885SMN1; SMN2 1192/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAPT 1263/4885HPGD 1739/4885SMN1; SMN2 1192/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 MAPT 1263/4885HPGD 1739/4885SMN1; 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.