SCHEMBL902160

SCHEMBL902160

COc1ccc(N2CCSCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
ADRB1 P08588 1/20 0.61
HTR3A P46098 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
DRD2 P14416 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
AKR1C3 P42330 1/20 0.49

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
SCHEMBL15483894 0.87 HTR3E (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28599511 0.85 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29656856 0.85 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2925759 0.81 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28129519 0.81 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL19850677 0.80 HTR3E (0.45) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL23968199 0.80 MAPKAPK2 (0.57) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL13734536 0.80 DGAT1 (0.55) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28218775 0.79 ADRB1 (0.65) ADRB1RAB9AMAPTKMT2ADRD2
SCHEMBL4765493 0.79 MAPT (0.56) RAB9AMAPTKMT2AL3MBTL1NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US claimed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO claimed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US claimed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
WO-2012042227-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) 2012-04-05 WO disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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 (2 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 HTR3E 124/4885HTR3B 79/4885ADRB1 274/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 HTR3E 3089/4885HTR3B 1799/4885ADRB1 176/4885

“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.