SCHEMBL3962945

SCHEMBL3962945

Clc1ccc(CC2CC[N]CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCR3 P51677 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP2A13 Q16696 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3962180 0.86 MEN1 (0.46) CCR3SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3962949 0.79 SLC6A4 (0.51) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL14223695 0.79 KDM4E (0.45) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL3963507 0.79 ALDH1A1 (0.46) IDO1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13503578 0.76 SLC6A2 (0.42) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL3130172 0.74 ALDH1A1 (0.51) CYP3A4CCR3MEN1KMT2AALDH1A1
SCHEMBL31621867 0.73 MAOA (0.42) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL3964708 0.72 RECQL (0.46) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL2199688 0.72 ALDH1A1 (0.54) IDO1CYP3A4CCR3KDM4ESMN1; SMN2
SCHEMBL3967341 0.71 ALDH1A1 (0.37) IDO1CCR3KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R IDO1 481/4885CYP1A2 612/4885CYP3A4 1212/4885

“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.