SCHEMBL3964581

SCHEMBL3964581

Clc1cccc(Cl)c1CC1CC[N]CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 4/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.35
AKR1B1 P15121 1/20 0.34
ATM Q13315 1/20 0.34
CYP2A13 Q16696 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3964708 0.80 RECQL (0.46) TAAR1KMT2AALDH1A1ATMCYP2A13
SCHEMBL3963507 0.79 ALDH1A1 (0.46) TAAR1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3964586 0.77 GBA1 (0.53) GLAHTTNPSR1TAAR1KMT2A
SCHEMBL14409782 0.77 DRD2 (0.44) GLAHTTNPSR1TAAR1KMT2A
SCHEMBL13681483 0.77 GLA (0.41) GLAHTTNPSR1TAAR1KMT2A
SCHEMBL12290783 0.73 TSHR (0.43) GLAHTTNPSR1TAAR1KMT2A
SCHEMBL13503794 0.73 NPSR1 (0.38) GLAHTTNPSR1TAAR1KMT2A
SCHEMBL2199688 0.73 ALDH1A1 (0.54) GLAHTTTAAR1KMT2ASMN1; SMN2
SCHEMBL3130172 0.71 ALDH1A1 (0.51) NPSR1KMT2AALDH1A1MEN1TP53
SCHEMBL3966653 0.70 FPR2 (0.46) TAAR1SMN1; SMN2CYP3A4CYP2D6CYP2C9

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 GLA 1727/4885HTT 4558/4885NPSR1 68/4885

“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.