SCHEMBL2463274

SCHEMBL2463274

Cc1cc(C(F)(F)F)cc2c1nc(N1CCN(C(=O)O)CC1)c1nncn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.53
HRH3 Q9Y5N1 3/20 0.53
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 4/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
POLB P06746 2/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL12245647 0.87 HRH4 (0.48) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL2467018 0.86 HRH4 (0.69) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL2470171 0.83 HRH4 (0.53) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL2438242 0.78 HRH4 (0.47) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL442674 0.76 HRH4 (0.68) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL12225208 0.76 KDM4E (0.47) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL2535746 0.73 HRH4 (0.63) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL438056 0.72 HRH4 (0.52) HRH4HRH3MAPTSMN1; SMN2TP53
SCHEMBL12225204 0.72 HRH4 (0.68) HRH4HRH3MAPTTP53POLB
SCHEMBL14829061 0.71 HRH4 (0.72) HRH4HRH3MAPTTP53

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-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

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885MAPT 2336/4885

“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.