SCHEMBL405884

SCHEMBL405884

Cc1nc2c3cc(Cl)c(C)cc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.59
SOS1 Q07889 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL404669 0.95 HRH4 (0.59) HRH4SOS1TRPV1HRH3KDM4E
SCHEMBL404546 0.92 HRH4 (0.61) HRH4SOS1TRPV1HRH3KDM4E
SCHEMBL404547 0.88 HRH4 (0.57) HRH4SOS1TRPV1HRH3KDM4E
SCHEMBL405070 0.86 HRH4 (0.60) HRH4SOS1
SCHEMBL405866 0.85 HRH4 (0.53) HRH4SOS1HRH3HTR3EHTR3B
SCHEMBL463605 0.85 HRH4 (0.54) HRH4SOS1HRH3KDM4EPKM
Hydrochloric Acid SCHEMBL437083 0.84 HRH4 (0.53) HRH4SOS1HRH3HTR3EHTR3B
SCHEMBL404917 0.82 HRH4 (0.53) HRH4SOS1HRH3HTR3EHTR3B
SCHEMBL404518 0.82 HRH4 (0.62) HRH4HRH3KDM4EPKMHSD17B10
SCHEMBL2462311 0.82 HRH4 (0.53) HRH4HRH3KDM4EPKMHSD17B10

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SOS1 3564/4885TRPV1 102/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SOS1 3564/4885TRPV1 102/4885

“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.