SCHEMBL462776

SCHEMBL462776

Fc1cc2nc(N3CCN(Cl)CC3)c3nnnn3c2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
USP2 O75604 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 8/20 0.50
TP53 P04637 2/20 0.47
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
HBB P68871 1/20 0.41
RECQL P46063 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
SCHEMBL405238 0.89 HRH4 (0.57) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL406671 0.87 TSHR (0.47) TSHRUSP2ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL439792 0.86 TSHR (0.47) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL406418 0.85 HRH4 (0.57) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL406215 0.85 MAPT (0.48) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL406744 0.82 TSHR (0.47) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL12224918 0.81 TSHR (0.51) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL462613 0.80 USP2 (0.44) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL405239 0.79 HRH4 (0.56) TSHRUSP2ALDH1A1HPGDMAPT
SCHEMBL12224892 0.79 HRH4 (0.62) TSHRUSP2ALDH1A1HPGDMAPT

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-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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (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 TSHR 82/4885USP2 2853/4885ALDH1A1 1909/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 82/4885USP2 2853/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TSHR 82/4885USP2 2853/4885ALDH1A1 1909/4885

“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.