SCHEMBL4098296

SCHEMBL4098296

CN1CCC[N]C(c2nc3cc(F)c(F)cc3[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRCP P42785 1/20 0.33
OPRL1 P41146 3/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MPO P05164 1/20 0.31
DGAT1 O75907 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL4354354 0.92 HRH4 (0.44) HRH4HRH3PDE10AKDM4ECYP1A2
SCHEMBL4109197 0.91 TXN (0.36) HRH4HRH3PDE10APRCPOPRL1
SCHEMBL4358469 0.79 PDE10A (0.38) HRH4HRH3PDE10AKDM4ECYP1A2
SCHEMBL4353639 0.78 KDM4E (0.40) KDM4ECYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4350354 0.78 MPO (0.38) HRH4HRH3PDE10AKDM4EALDH1A1
SCHEMBL4356646 0.77 HRH4 (0.45) HRH4KDM4ECYP1A2CYP3A4PRCP
SCHEMBL4103942 0.74 KCNH2 (0.40) HRH4HCRTR1HCRTR2KCNH2
SCHEMBL4353612 0.74 HRH4 (0.42) HRH4HRH3PDE10APRCPHCRTR1
SCHEMBL4348250 0.73 LMNA (0.39) HRH4PDE10AKDM4ECYP1A2CYP3A4
SCHEMBL4352227 0.72 HRH4 (0.35) HRH4HRH3ALDH1A1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US 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-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885PDE10A 4745/4885

“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.