SCHEMBL4926985

SCHEMBL4926985

Cn1ccnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(Cl)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.38
HTR3A P46098 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL4929517 0.89 HRH4 (0.41) HRH4
SCHEMBL14184758 0.82 SCN9A (0.42) HRH4SCN9A
SCHEMBL4928254 0.80 SYK (0.45) L3MBTL1KDM4EALDH1A1
SCHEMBL3232353 0.75 TSHR (0.56) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL4930783 0.73 CHRM4 (0.38) HRH4
SCHEMBL4930774 0.73 CHRM4 (0.38) HRH4
SCHEMBL3452757 0.73 KDM4E (0.53) HRH4L3MBTL1SCN9AKDM4EALDH1A1
SCHEMBL4928688 0.72 CNR2 (0.43) KDM4E
SCHEMBL3451855 0.71 HRH4 (0.70) HRH4L3MBTL1HTR3AALDH1A1HPGD
SCHEMBL4924961 0.70 SCN9A (0.47) HRH4L3MBTL1SCN9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
EP-1838703-A2 HETEROARYL SUBSTITUTED PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-10-03 EP disclosed
WO-2006078992-A2 HETEROARYL SUBSTITUTED PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-07-27 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-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 HRH4 16/4885L3MBTL1 4013/4885SCN9A 2748/4885

“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.