SCHEMBL20008988

SCHEMBL20008988

CC(C)N1CCN(C(=O)c2cccnc2)C(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
SMO Q99835 2/20 0.49
ALDH1A1 P00352 1/20 0.47
IDH1 O75874 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
GHSR Q92847 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM1 Q13255 1/20 0.42
GAA P10253 1/20 0.42
RORC P51449 1/20 0.42
STAT3 P40763 1/20 0.41
PKM P14618 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
SCHEMBL20009023 1.00 PIK3CD (0.55) PIK3CDSMOALDH1A1IDH1CHRNB2
SCHEMBL20009029 1.00 PIK3CD (0.55) PIK3CDSMOALDH1A1IDH1CHRNB2
SCHEMBL23792394 0.86 PIK3CD (0.63) PIK3CDALDH1A1IDH1CHRNB2CHRNB4
SCHEMBL20008967 0.84 SMO (0.50) PIK3CDSMOHPGDGHSRHTT
SCHEMBL18081171 0.83 PIK3CD (0.52) PIK3CDSMOALDH1A1IDH1CHRNB2
SCHEMBL26241740 0.83 PIK3CD (0.52) PIK3CDSMOALDH1A1IDH1CHRNB2
SCHEMBL26817930 0.83 PIK3CD (0.53) PIK3CDSMOALDH1A1IDH1CHRNB2
SCHEMBL18081188 0.82 PIK3CD (0.51) PIK3CDSMOALDH1A1IDH1CHRNB2
SCHEMBL26827492 0.81 HTT (0.53) PIK3CDSMOALDH1A1CHRNB2CHRNB4
SCHEMBL20012861 0.80 SMO (0.49) PIK3CDSMOALDH1A1IDH1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
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 (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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885SMO 1332/4885ALDH1A1 3032/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 PIK3CD 3161/4885SMO 1332/4885ALDH1A1 3032/4885

“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.