SCHEMBL2489323

SCHEMBL2489323

Cc1cc(C(F)(F)F)cc2c1nc(N1CCN(C)CC1)c1nnnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.51
HRH3 Q9Y5N1 3/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 3/20 0.45
MAPT P10636 7/20 0.43
KDM4E B2RXH2 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 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
SCHEMBL462850 0.90 HRH4 (0.50) HRH4HRH3POLBTP53MAPT
Hydrochloric Acid SCHEMBL440128 0.89 HRH4 (0.49) HRH4HRH3POLBTP53MAPT
SCHEMBL2534943 0.88 POLB (0.48) HRH4HRH3POLBTP53MAPT
SCHEMBL2466086 0.86 HRH4 (0.47) HRH4HRH3POLBTP53MAPT
SCHEMBL12225244 0.86 TP53 (0.57) HRH4HRH3POLBTP53MAPT
SCHEMBL2467961 0.84 HRH4 (0.65) HRH4HRH3POLBTP53MAPT
SCHEMBL12246149 0.82 POLB (0.44) POLBTP53MAPTKDM4EMEN1
SCHEMBL439563 0.82 POLB (0.67) HRH4HRH3POLBTP53MAPT
SCHEMBL2467018 0.81 HRH4 (0.69) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL442384 0.80 KDM4E (0.59) HRH4HRH3POLBTP53MAPT

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.