SCHEMBL856202

SCHEMBL856202

NCc1cc(F)c(Br)cc1F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.44
KDM1B Q8NB78 5/20 0.44
KCNH2 Q12809 4/20 0.44
LOXL2 Q9Y4K0 1/20 0.34
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
DPP4 P27487 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL2039343 0.91 KDM1A (0.35) KDM1AKDM1BKCNH2LOXL2IDO1
SCHEMBL2530790 0.86 KDM1A (0.39) KDM1AKDM1BKCNH2LOXL2TAAR1
SCHEMBL13527770 0.84 LOXL2 (0.42) LOXL2IDO1AGXTDPP4TAAR1
Hydrochloric Acid SCHEMBL52044 0.84 KDM1A (0.38) KDM1AKDM1BKCNH2LOXL2IDO1
SCHEMBL20095730 0.84 TAAR1 (0.45) KDM1AKDM1BKCNH2TAAR1HTR2A
SCHEMBL13068536 0.83 KDM1A (0.36) KDM1AKDM1BKCNH2LOXL2DPP4
SCHEMBL16794042 0.80 KDM1A (0.49) KDM1AKDM1BKCNH2LOXL2DPP4
SCHEMBL22664895 0.80 KDM1A (0.50) KDM1AKDM1BKCNH2LOXL2TAAR1
SCHEMBL17645789 0.80 ALDH1A1 (0.34) KDM1AKDM1BLOXL2TAAR1HTR2A
SCHEMBL29976628 0.80 KDM1A (0.49) KDM1AKDM1BKCNH2LOXL2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 KDM1A 4126/4885KDM1B 4308/4885KCNH2 3749/4885

“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.