SCHEMBL2534497

SCHEMBL2534497

CN1CC2CN(c3nc4ccc(C(F)(F)F)cc4c4ncnn34)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDE2A O00408 6/20 0.37
ACVR1 Q04771 3/20 0.35
PDE5A O76074 1/20 0.34
PDE7B Q9NP56 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL2530775 0.88 HRH4 (0.36) HRH4PDE2A
SCHEMBL12224740 0.86 HRH4 (0.52) HRH4HRH3ACVR1TSHRGAA
SCHEMBL2538045 0.85 HRH4 (0.54) HRH4HRH3PDE2AIRAK4CCNE2
SCHEMBL12225184 0.84 HRH4 (0.40) HRH4HRH3ACVR1
SCHEMBL2467922 0.82 HRH4 (0.48) HRH4HRH3PDE2AACVR1TSHR
SCHEMBL10013923 0.81 FABP4 (0.41) HRH4HRH3PDE2ATSHRGAA
SCHEMBL10013931 0.79 ADRB2 (0.50) HRH4HRH3MAPT
SCHEMBL12246553 0.77 CCRL2 (0.36) PDE10AMCHR1
SCHEMBL2464872 0.76 ADRB2 (0.47) HRH4MAPTSMN1; SMN2MCHR1
SCHEMBL12246557 0.75 MBOAT4 (0.40) PDE2AACVR1IRAK4CCNE2CCNA2

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 3 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

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 2/4885PDE2A 3588/4885

“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.