SCHEMBL462636

SCHEMBL462636

FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1nnnn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.59
HTR2C P28335 2/20 0.59
POLB P06746 1/20 0.53
MAPT P10636 5/20 0.47
TSHR P16473 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ADRB2 P07550 1/20 0.45
NCF1 P14598 1/20 0.45
TP53 P04637 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
Hydrochloric Acid SCHEMBL442488 0.99 HTR1D (0.58) HTR1DHTR2CPOLBMAPTTSHR
SCHEMBL462729 0.91 POLB (0.61) HTR1DHTR2CPOLBMAPTTSHR
Hydrochloric Acid SCHEMBL438063 0.90 POLB (0.60) HTR1DHTR2CPOLBMAPTTSHR
SCHEMBL442384 0.86 KDM4E (0.59) HTR1DHTR2CPOLBMAPTTSHR
SCHEMBL405688 0.82 MAPT (0.57) MAPTTSHRKDM4EHSD17B10MEN1
SCHEMBL405729 0.82 MAPT (0.59) POLBMAPTTSHRKDM4EHSD17B10
SCHEMBL406331 0.82 MAPT (0.50) MAPTTSHRKDM4EHSD17B10MEN1
Hydrochloric Acid SCHEMBL440326 0.81 MAPT (0.49) MAPTTSHRKDM4EHSD17B10MEN1
SCHEMBL440930 0.81 TSHR (0.46) HTR1DHTR2CPOLBMAPTTSHR
SCHEMBL438686 0.81 TSHR (0.46) HTR1DHTR2CPOLBMAPTTSHR

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 5 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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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

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 HTR1D 106/4885HTR2C 145/4885POLB 4705/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR1D 106/4885HTR2C 145/4885POLB 4705/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR1D 106/4885HTR2C 145/4885POLB 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.