SCHEMBL405802

SCHEMBL405802

Fc1cc(Br)cc2c1nc(N1CCNCC1)c1nncn12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.65
HRH3 Q9Y5N1 3/20 0.47
HTR3A P46098 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12224935 0.86 HRH4 (0.65) HRH4HRH3HTR3AMAPT
SCHEMBL404355 0.86 HRH4 (0.54) HRH4HRH3POLBMAPTMAPK1
SCHEMBL406334 0.86 HRH4 (0.65) HRH4HRH3HTR3A
SCHEMBL405699 0.86 HRH4 (0.65) HRH4HRH3HTR3AKDM4EMAPT
Hydrochloric Acid SCHEMBL442804 0.85 HRH4 (0.64) HRH4HRH3HTR3AKDM4EMAPT
SCHEMBL12224937 0.84 HRH4 (0.52) HRH4HRH3POLBKDM4EMAPT
SCHEMBL438056 0.84 HRH4 (0.52) HRH4HRH3POLBKDM4EMAPT
SCHEMBL405708 0.80 HRH4 (0.57) HRH4HRH3POLBKDM4EMAPT
SCHEMBL10013930 0.80 HRH4 (0.47) HRH4HRH3POLBKDM4EMAPT
SCHEMBL406642 0.80 HRH4 (0.57) HRH4HRH3POLBKDM4EMAPT

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 10 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HTR3A 153/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HTR3A 153/4885

“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.