SCHEMBL2359685

SCHEMBL2359685

CN1CCN(c2cc(N3CCCS3(=O)=O)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC9A3 P48764 1/20 0.39

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
SCHEMBL12445159 0.96 ALDH1A1 (0.41) MAPTKDM4EGAAMAPK1HTT
SCHEMBL12445279 0.81 AKR1C3 (0.39) TP53SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2360208 0.79 TP53 (0.45) KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL12445151 0.76 CA1 (0.47) TP53SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14355849 0.74 ADRA2C (0.49) MAPTMAPK1LMNASLC9A3POLB
SCHEMBL14717300 0.73 HPGD (0.50) MAPTKDM4EGAAMAPK1HTT
SCHEMBL15786413 0.73 PARP1 (0.47) TP53PARP1
SCHEMBL12444818 0.72 HTR6 (0.39) MAPTKDM4EGAAMAPK1HTT
SCHEMBL8312434 0.71 POLB (0.49) TP53SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19262490 0.71 ALDH1A1 (0.64) MAPTKDM4EGAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US claimed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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 (1 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A MAPT 2442/4885KDM4E 2422/4885GAA 4084/4885

“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.