SCHEMBL20009000

SCHEMBL20009000

CC(C)N1CC(C)N(Cc2ccccc2)C(C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
BRD4 O60885 2/20 0.39
FUCA1 P04066 2/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 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
SCHEMBL20420923 0.82 ALDH1A1 (0.45) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL17897292 0.81 CHRM2 (0.49) KMT2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL18705127 0.81 CHRM2 (0.53) KMT2AALDH1A1NPSR1MAPTKDM4E
SCHEMBL3165425 0.80 MC4R (0.48) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL3165429 0.80 MC4R (0.48) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL19967980 0.79 SLC6A9 (0.49) KMT2AMAPTKDM4EMEN1HRH3
SCHEMBL18701025 0.79 ACHE (0.49) ALDH1A1MAPTCHRM2CHRM4CHRM5
SCHEMBL11144165 0.77 ACHE (0.55) ALDH1A1MAPTHRH3CHRM2CHRM4
SCHEMBL20811168 0.77 CHRM2 (0.55) ALDH1A1MAPTCHRM2CHRM4CHRM5
SCHEMBL20797832 0.77 CHRM2 (0.55) ALDH1A1MAPTCHRM2CHRM4CHRM5

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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KMT2A 489/4885ALDH1A1 3032/4885NPSR1 3059/4885

“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.