SCHEMBL342005

SCHEMBL342005

CN1CCN(c2nc3ccc(C(F)(F)F)cc3n3cnnc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.71
HRH3 Q9Y5N1 6/20 0.71
TP53 P04637 3/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR3A P46098 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR1D P28221 1/20 0.54
HTR2C P28335 1/20 0.54

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
SCHEMBL438238 0.91 HRH4 (0.68) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL341194 0.86 MAPT (0.60) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL12224741 0.84 HRH4 (0.64) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL441122 0.84 HRH4 (0.67) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL404191 0.83 HRH4 (1.00) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2467018 0.83 HRH4 (0.69) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL406006 0.82 HRH4 (0.76) HRH4HRH3TP53MAPTPOLB
SCHEMBL405639 0.82 HRH4 (1.00) HRH4HRH3TP53MAPTPOLB
SCHEMBL461561 0.82 HTR3E (0.65) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL442674 0.82 HRH4 (0.68) HRH4HRH3TP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012264-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. (US) 2012-01-26 WO claimed
US-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. 2012-01-19 US claimed
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
WO-2012012264-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. (US) 2012-01-26 WO disclosed
US-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. 2012-01-19 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (4 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-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885TP53 2943/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885TP53 3565/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885TP53 3565/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885TP53 3565/4885

“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.