SCHEMBL17680692

SCHEMBL17680692

C[C@@H]1CC(=O)Nc2ccc(OCC3CC3)cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 15/20 1.00
BRD4 O60885 14/20 1.00
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PARP15 Q460N3 4/20 0.47
PARP10 Q53GL7 4/20 0.47

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
SCHEMBL22368973 0.94 BRD4 (1.00) CREBBPBRD4MAOAMAOBPARP15
SCHEMBL17680518 0.94 BRD4 (1.00) CREBBPBRD4MAOAMAOBPARP15
SCHEMBL17680687 0.83 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368812 0.82 BRD4 (0.70) CREBBPBRD4MAOAMAOBPARP15
SCHEMBL17673304 0.81 CREBBP (0.80) CREBBPBRD4MAOAMAOB
SCHEMBL19518160 0.81 CREBBP (0.80) CREBBPBRD4MAOAMAOB
SCHEMBL17680688 0.79 CREBBP (1.00) CREBBPBRD4MAOAMAOB
SCHEMBL17680829 0.79 CREBBP (1.00) CREBBPBRD4MAOAMAOB
SCHEMBL22368809 0.78 BRD4 (0.63) CREBBPBRD4MAOAMAOBPARP15
SCHEMBL17680231 0.78 CREBBP (1.00) CREBBPBRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 CREBBP 2/4885BRD4 18/4885MAOA 3792/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CREBBP 2/4885BRD4 18/4885MAOA 3792/4885

“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.