SCHEMBL10177398

SCHEMBL10177398

CCCc1nc2cc(Cl)ccc2n1CCC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
PPARG P37231 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NUDT1 P36639 1/20 0.46
BACE1 P56817 1/20 0.46
CNR2 P34972 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TBXA2R P21731 1/20 0.43
TSHR P16473 1/20 0.43
HDAC1 Q13547 2/20 0.42
GRM2 Q14416 1/20 0.41

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
SCHEMBL10177399 0.90 JAK2 (0.52) MAPTKMT2ALMNANUDT1BACE1
SCHEMBL10176976 0.90 KMT2A (0.66) MAPTKMT2ALMNAPPARGHPGD
SCHEMBL22777751 0.79 BACE1 (0.50) MAPTKMT2ASMN1; SMN2NUDT1BACE1
SCHEMBL10176974 0.78 CNR2 (0.47) KMT2ALMNAPPARGHPGDSMN1; SMN2
SCHEMBL7976705 0.77 HDAC1 (0.54) NUDT1BACE1THRBRECQLHDAC1
SCHEMBL13259209 0.77 KMT2A (0.63) KMT2AHPGDSMN1; SMN2NUDT1BACE1
SCHEMBL11205958 0.77 MAPT (0.55) MAPTKMT2ASMN1; SMN2NUDT1BACE1
SCHEMBL13677252 0.76 KMT2A (0.51) MAPTKMT2ALMNASMN1; SMN2NUDT1
Ammonia Solution, Strong SCHEMBL5312050 0.76 MAPT (0.77) MAPTKMT2ALMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL7974097 0.76 HDAC1 (0.53) NUDT1BACE1HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 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 (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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885KMT2A 453/4885LMNA 4701/4885

“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.