SCHEMBL20009079

SCHEMBL20009079

Fc1cncc(N2C3CCCC2CC3)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 3/20 0.38
CYP19A1 P11511 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
EPAS1 Q99814 1/20 0.34
SMYD3 Q9H7B4 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL20012701 0.83 OPRM1 (0.44) CYP11B2CYP11B1CYP19A1ADRA2BCHRNB4
Hydrochloric Acid SCHEMBL19991666 0.81 OPRM1 (0.43) CYP11B2CYP11B1CYP19A1ADRA2BCHRNB4
SCHEMBL20009027 0.78 CYP11B2 (0.35) CYP11B2CYP11B1CYP19A1ADRA2BCHRNB4
SCHEMBL19991715 0.70 GPR119 (0.44)
SCHEMBL7146555 0.68 CHRNB2 (0.46) CYP11B2CHRNB4CHRNA3
SCHEMBL7565522 0.68 CHRNB2 (0.46) CYP11B2CHRNB4CHRNA3
SCHEMBL4825581 0.68 CYP11B2 (0.38) CYP11B2CHRNB4CHRNA3EPAS1RIPK1
SCHEMBL5094697 0.67 CYP11B2 (0.37) CYP11B2CHRNB4CHRNA3EPAS1RIPK1
SCHEMBL23515071 0.66 KDM4E (0.48) CHRNB4CHRNA3
SCHEMBL4820560 0.66 PIM1 (0.46) CHRNB4CHRNA3

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 CYP11B2 1636/4885CYP11B1 1203/4885CYP19A1 3948/4885

“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.