SCHEMBL22601446

SCHEMBL22601446

CC(C)(C)c1cc(N2CCN(C3CC3)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
TRPV6 Q9H1D0 1/20 0.40
HTR7 P34969 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL22601439 0.85 TTK (0.44)
SCHEMBL20224121 0.81 HRH4 (0.56) MEN1KMT2ASMN1; SMN2LMNAHSD17B10
SCHEMBL22601587 0.81 HRH4 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL22601451 0.80 HRH4 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20224116 0.78 KMT2A (0.47) MEN1KMT2ADRD2DRD3TRPV6
SCHEMBL22601526 0.78 CHRNA7 (0.47) MEN1KMT2ADRD3ALDH1A1SMN1; SMN2
SCHEMBL22601438 0.78 KDM4E (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20224125 0.77 LMNA (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20224122 0.77 ADRB2 (0.51) ALDH1A1HRH4HTR7
SCHEMBL22601437 0.75 LMNA (0.49) MEN1KMT2ASMN1; SMN2LMNAHSD17B10

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 1 patent. 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

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 MEN1 3421/4885KMT2A 2727/4885DRD2 4831/4885

“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.