SCHEMBL2466086

SCHEMBL2466086

CN1CCN(c2nc3c(C#N)cc(C(F)(F)F)cc3n3nnnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 7/20 0.43
TSHR P16473 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 2/20 0.43
CLK1 P49759 1/20 0.43
TP53 P04637 2/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CASP1 P29466 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2464081 0.88 POLB (0.41) HRH4HRH3POLBKDM4ETSHR
SCHEMBL2489323 0.86 HRH4 (0.51) HRH4HRH3POLBKDM4ETSHR
SCHEMBL12225243 0.85 KDM4E (0.55) HRH4HRH3POLBKDM4ETSHR
SCHEMBL462850 0.85 HRH4 (0.50) HRH4HRH3POLBKDM4ETSHR
Hydrochloric Acid SCHEMBL440128 0.84 HRH4 (0.49) HRH4HRH3POLBKDM4ETSHR
SCHEMBL2535746 0.82 HRH4 (0.63) HRH4HRH3SMN1; SMN2TP53MAPT
SCHEMBL12247590 0.80 POLB (0.47) HRH4HRH3POLBKDM4ETSHR
SCHEMBL12247585 0.80 POLB (0.47) HRH4HRH3POLBKDM4ETSHR
SCHEMBL2464813 0.78 HRH4 (0.49) HRH4HRH3POLBKDM4ETSHR
SCHEMBL439563 0.78 POLB (0.67) HRH4HRH3POLBKDM4ETSHR

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 4 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
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

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 2/4885POLB 4705/4885

“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.