SCHEMBL13636174

SCHEMBL13636174

COc1ccc(CCCC(=O)N2CCN(C3CC=CC3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.43
MEN1 O00255 1/20 0.43
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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 SCHEMBL4388597 0.99 HRH3 (0.46) KMT2AALDH1A1TSHRHRH3PTGDR2
SCHEMBL13636214 0.81 KMT2A (0.47) KMT2AHRH3PTGDR2MEN1CHRM5
Hydrochloric Acid SCHEMBL4378993 0.80 KMT2A (0.46) KMT2AHRH3PTGDR2MEN1CHRM5
SCHEMBL4375522 0.80 KMT2A (0.62) KMT2AALDH1A1TSHRMEN1
SCHEMBL4384250 0.79 KMT2A (0.64) KMT2AALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL4378950 0.79 KMT2A (0.61) KMT2AALDH1A1TSHRHRH3MEN1
SCHEMBL22813664 0.77 KMT2A (0.52) KMT2AALDH1A1HRH3
SCHEMBL2832797 0.75 KMT2A (0.52) KMT2AALDH1A1TSHRMEN1
SCHEMBL344964 0.73 PPARG (0.54) ALDH1A1
SCHEMBL4377238 0.73 KMT2A (0.71) KMT2AALDH1A1TSHRMEN1

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
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 KMT2A 295/4885ALDH1A1 1907/4885TSHR 621/4885

“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.