SCHEMBL2470171

SCHEMBL2470171

Cc1cc(C(F)(F)F)cc2c1nc(N1CCNCC1)c1nncn12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.53
HRH3 Q9Y5N1 2/20 0.53
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
ADRB1 P08588 1/20 0.41
ESR1 P03372 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL438056 0.89 HRH4 (0.52) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL12224911 0.88 HRH4 (0.59) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2467018 0.87 HRH4 (0.69) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL12225202 0.86 HRH4 (0.56) HRH4HRH3TP53MAPTPOLB
SCHEMBL2466530 0.85 HRH4 (0.48) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2528607 0.84 HRH4 (0.65) HRH4HRH3TP53MAPTPOLB
SCHEMBL2463274 0.83 HRH4 (0.53) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL341194 0.82 MAPT (0.60) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL2534943 0.81 POLB (0.48) HRH4HRH3TP53MAPTSMN1; SMN2
SCHEMBL12224779 0.80 HRH4 (0.53) HRH4HRH3TP53MAPTSMN1; SMN2

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 2/4885TP53 3565/4885

“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.