SCHEMBL20009041

SCHEMBL20009041

CC(C)N1C[C@H]2C[C@@H]1CN2c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.46
NR1I2 O75469 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
MAP3K12 Q12852 1/20 0.45
CHRNA7 P36544 4/20 0.43
KCNH2 Q12809 3/20 0.43
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
GRM1 Q13255 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL20009015 1.00 PBRM1 (0.46) PBRM1NR1I2ADRA1AADRA1BOPRK1
SCHEMBL22074808 0.81 MAP3K12 (0.44) MAP3K12CHRNA7KCNH2TLR9TLR8
SCHEMBL26241051 0.80 CHRNA7 (0.63) PBRM1NR1I2ADRA1AADRA1BOPRK1
SCHEMBL18081170 0.80 CHRNA7 (0.63) PBRM1NR1I2ADRA1AADRA1BOPRK1
SCHEMBL9963412 0.78 KCNA5 (0.38) MAP3K12KCNH2
SCHEMBL9963413 0.78 KCNA5 (0.38) MAP3K12KCNH2
SCHEMBL2391993 0.77 MAP3K12 (0.51) MAP3K12CHRNA7KCNH2TLR9TLR8
SCHEMBL16232095 0.77 CHRNA7 (0.46) PBRM1NR1I2ADRA1AADRA1BOPRK1
SCHEMBL19368143 0.76 MAP3K12 (0.39) MAP3K12CHRNA7KCNH2
SCHEMBL9963408 0.73 LMNA (0.40)

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 PBRM1 11/4885NR1I2 283/4885ADRA1A 1071/4885

“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.