SCHEMBL4172008

SCHEMBL4172008

[NH]C(=O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55
GFER P55789 1/20 0.55
POLB P06746 1/20 0.55
CHRNA7 P36544 1/20 0.55
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
DRD4 P21917 1/20 0.53
KCNH2 Q12809 1/20 0.53
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52

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
SCHEMBL6301694 0.85 MAPT (0.72) MAPTALDH1A1HTR1AHTR7GFER
Hydrochloric Acid SCHEMBL1374296 0.84 MAPT (0.70) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL4179915 0.83 REV1 (0.59) MAPTALDH1A1HTR1AALOX15MEN1
SCHEMBL3709528 0.82 MAPT (0.68) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL4172010 0.82 MAPT (0.68) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL351380 0.81 POLB (0.74) MAPTALDH1A1HTR1APOLBSMN1; SMN2
SCHEMBL6070384 0.79 ALDH1A1 (0.64) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL28890229 0.79 MAPT (0.64) MAPTALDH1A1HTR1AHTR7GFER
SCHEMBL10770280 0.79 MEN1 (0.64) MAPTHTR1AGFERPOLBTSHR
SCHEMBL10770825 0.79 ALDH1A1 (0.68) MAPTALDH1A1TSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US claimed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP claimed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US claimed
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP 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 (3 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT MAPT 4183/4885ALDH1A1 357/4885HTR1A 4571/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 MAPT 544/4885ALDH1A1 1651/4885HTR1A 1836/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 MAPT 39/4885ALDH1A1 2709/4885HTR1A 3999/4885

“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.