SCHEMBL20012697

SCHEMBL20012697

CC(=O)N1CCN(C(C)CCC(C)N2CC3CCC(C2)N3Cc2ccccc2)CC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.46
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 6/20 0.43
CA9 Q16790 6/20 0.43
MC4R P32245 2/20 0.39
MC3R P41968 2/20 0.39
MC1R Q01726 2/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRS3 P32247 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
SCHEMBL20009039 0.80 ABCB1 (0.58) ABCB1CA1CA2CA4CA9
SCHEMBL20008966 0.80 ABCB1 (0.58) ABCB1CA1CA2CA4CA9
SCHEMBL20009037 0.80 ABCB1 (0.58) ABCB1CA1CA2CA4CA9
SCHEMBL5539410 0.74 CA1 (0.61) ABCB1CA1CA2CA4CA9
SCHEMBL12143612 0.71 ABCB1 (0.62) ABCB1CA1CA2CA4CA9
SCHEMBL18081174 0.71 ABCB1 (0.62) ABCB1CA1CA2CA4CA9
SCHEMBL12143610 0.71 ABCB1 (0.62) ABCB1CA1CA2CA4CA9
SCHEMBL20353482 0.71 CHRM2 (0.50) KCNH2HRH3KDM4EMEN1KMT2A
SCHEMBL17897292 0.70 CHRM2 (0.49) HRH3KDM4EMEN1KMT2A
SCHEMBL13225693 0.69 CA2 (0.55) ABCB1CA1CA2CA4CA9

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-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

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 ABCB1 676/4885CA1 4151/4885CA2 3302/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 ABCB1 676/4885CA1 4151/4885CA2 3302/4885

“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.