SCHEMBL3964708

SCHEMBL3964708

Clc1cccc(CC2CC[N]CC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.46
PNMT P11086 1/20 0.46
CCR3 P51677 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2D6 P10635 2/20 0.39
CXCR4 P61073 1/20 0.39
CYP2A13 Q16696 2/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3963507 0.86 ALDH1A1 (0.46) RECQLPNMTTAAR1IDO1ALDH1A1
SCHEMBL7438269 0.84 PNMT (0.50) RECQLPNMTCCR3TAAR1IDO1
SCHEMBL3964581 0.80 GLA (0.41) RECQLTAAR1ALDH1A1CYP2D6CYP2A13
SCHEMBL3964711 0.79 SLC6A4 (0.51) RECQLPNMTCCR3TAAR1SLC6A2
SCHEMBL2093810 0.72 SLC6A4 (0.35) CCR3SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3962945 0.72 IDO1 (0.44) CCR3IDO1ALDH1A1KDM4ECYP2A13
SCHEMBL3962180 0.72 MEN1 (0.46) CCR3POLBSLC6A2SLC6A4MEN1
SCHEMBL3964707 0.72 ATM (0.38) ATMP2RX7
SCHEMBL2094881 0.71 MEN1 (0.41) TAAR1MEN1KMT2A
SCHEMBL3965584 0.71 DRD2 (0.47) TAAR1IDO1ALDH1A1ATMKMT2A

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 RECQL 3885/4885PNMT 3102/4885CCR3 675/4885

“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.