SCHEMBL2464081

SCHEMBL2464081

N#Cc1cc(C(F)(F)F)cc2c1nc(N1CCNCC1)c1nnnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ADRB1 P08588 2/20 0.37
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HRH4 Q9H3N8 3/20 0.34

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
SCHEMBL2466086 0.88 HRH4 (0.47) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL462757 0.85 POLB (0.43) POLBALDH1A1MEN1KMT2AADRB1
SCHEMBL2534943 0.85 POLB (0.48) POLBALDH1A1MEN1KMT2AADRB1
Hydrochloric Acid SCHEMBL440161 0.84 POLB (0.43) POLBALDH1A1MEN1KMT2AADRB1
SCHEMBL12224913 0.84 POLB (0.43) POLBALDH1A1MEN1KMT2AADRB1
SCHEMBL12225251 0.84 TAAR1 (0.49) POLBALDH1A1TAAR1MEN1KMT2A
SCHEMBL2466530 0.82 HRH4 (0.48) ALDH1A1TAAR1ADRB1HTR1DHTR2C
SCHEMBL12247588 0.80 POLB (0.43) POLBALDH1A1TAAR1MEN1KMT2A
SCHEMBL12247591 0.80 POLB (0.43) POLBALDH1A1TAAR1MEN1KMT2A
SCHEMBL2468609 0.79 TSHR (0.41) ALDH1A1TAAR1MEN1KMT2AMAPT

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 POLB 4705/4885ALDH1A1 1909/4885TAAR1 45/4885

“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.