SCHEMBL17806243

SCHEMBL17806243

CC(C)N1CCc2cc(-c3cnn(C)c3)cc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.43
▸ CYP11B2 P19099 5/20 0.39
▸ CHRM1 P11229 4/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ KDM1A O60341 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ INPPL1 O15357 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
SCHEMBL17809613 0.83 ERN1 (0.47) ERN1CYP11B2CHRM1GSK3BDYRK1A
SCHEMBL17806202 0.79 ERN1 (0.43) ERN1CHRM1GSK3BDYRK1AUSP30
SCHEMBL17806217 0.76 NOTUM (0.51) ACVR1KDM1A
SCHEMBL17806203 0.75 CREBBP (0.44) CYP11B2GSK3BDYRK1AUSP30WNT1
SCHEMBL17806213 0.75 CREBBP (0.41) GSK3BDYRK1AUSP30WNT1ALOX5AP
SCHEMBL17806206 0.73 KDM1A (0.48) CHRM1ACVR1GSK3BDYRK1AKDM1A
SCHEMBL19998604 0.70 ERN1 (0.56) ERN1CHRM1GSK3BDYRK1AUSP30
SCHEMBL17806598 0.69 ERN1 (0.49) ERN1CHRM1GSK3BDYRK1AUSP30
SCHEMBL17785811 0.69 ERN1 (0.46) ERN1CHRM1GSK3BDYRK1AWNT1
SCHEMBL17806201 0.68 CREBBP (0.50) CYP11B2BMPR1BBMPR1ATGFBR1ACVRL1

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 5 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-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-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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