SCHEMBL17809613

SCHEMBL17809613

CN1CCc2cc(-c3cnn(C)c3)cc(F)c21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.47
▸ CYP11B2 P19099 7/20 0.42
▸ CHRM1 P11229 8/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39

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
SCHEMBL17806243 0.83 ERN1 (0.43) ERN1CYP11B2CHRM1USP30GSK3B
SCHEMBL17809538 0.77 ERN1 (0.47) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL19998604 0.74 ERN1 (0.56) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL17809509 0.73 WDR5 (0.56) —
SCHEMBL17785811 0.72 ERN1 (0.46) ERN1CHRM1GSK3BDYRK1A
SCHEMBL17809627 0.72 CREBBP (0.42) ERN1CYP11B2USP30GSK3BDYRK1A
SCHEMBL17809502 0.72 CREBBP (0.44) CYP11B2USP30GSK3BDYRK1A
SCHEMBL12363773 0.72 CYP11B2 (0.35) CYP11B2
SCHEMBL17809710 0.70 ERN1 (0.52) ERN1CHRM1USP30GSK3BDYRK1A
SCHEMBL18259536 0.70 ERN1 (0.51) ERN1CHRM1DYRK1A

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ERN1 861/4885CYP11B2 1605/4885CHRM1 1855/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ERN1 861/4885CYP11B2 1605/4885CHRM1 1855/4885

“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.

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