SCHEMBL22601452

SCHEMBL22601452

CSC(C)c1cc(N2CCCCC2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.52
CHKA P35790 1/20 0.41
LNPEP Q9UIQ6 1/20 0.40
ELOVL1 Q9BW60 1/20 0.39
KCNA5 P22460 3/20 0.38
TERT O14746 2/20 0.38
KCNE1 P15382 1/20 0.38
LRRK2 Q5S007 2/20 0.38
MAP4K4 O95819 1/20 0.35
S100B P04271 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL25697407 0.84 HRH4 (0.54) HRH4CHKALNPEPELOVL1KCNA5
SCHEMBL10774082 0.82 HRH4 (0.51) HRH4CHKALNPEPELOVL1TERT
SCHEMBL29529805 0.81 HRH4 (0.51) HRH4CHKALNPEPELOVL1KCNA5
SCHEMBL9455784 0.72 HRH4 (0.58) HRH4CHKALNPEPELOVL1TERT
SCHEMBL17998799 0.70 HRH4 (0.57) HRH4MEN1GAAMAPTMAPK1
SCHEMBL28985190 0.70 HRH4 (0.40) HRH4CHKALNPEPMEN1ALDH1A1
SCHEMBL28985192 0.70 HRH4 (0.40) HRH4CHKALNPEPMEN1ALDH1A1
SCHEMBL425041 0.70 HRH4 (0.56) HRH4CHKAELOVL1TERTMEN1
SCHEMBL19468840 0.69 ELOVL1 (0.50) HRH4CHKAELOVL1LRRK2
SCHEMBL807537 0.69 CHEK1 (0.47) LRRK2MEN1ALDH1A1LMNAMAPT

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (2 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK HRH4 3715/4885CHKA 927/4885LNPEP 1093/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 HRH4 4032/4885CHKA 899/4885LNPEP 3722/4885

“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.