SCHEMBL1700787

SCHEMBL1700787

CC(C)(C)N1CC[C@@H](CO)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
BRD4 O60885 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL1700411 1.00 NR1H2 (0.33) NR1H2BRD4CYP3A4CYP2C19PKM
SCHEMBL624078 1.00 NR1H2 (0.33) NR1H2BRD4CYP3A4CYP2C19PKM
SCHEMBL1029299 0.88 PKM (0.38) CYP3A4CYP2C19PKM
SCHEMBL13213232 0.88 PKM (0.38) CYP3A4CYP2C19PKM
SCHEMBL624534 0.88 PKM (0.38) CYP3A4CYP2C19PKM
SCHEMBL159232 0.86 HTT (0.31) NR1H2
SCHEMBL21904714 0.83 BRD4 (0.35) BRD4
SCHEMBL16993544 0.83 BRD4 (0.35) BRD4
SCHEMBL1972563 0.81 ATM (0.39) NR1H2BRD4ATM
SCHEMBL25144024 0.80 HTT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
WO-2023088291-A1 AROMATIC AMINE COMPOUND AND APPLICATION THEREOF 武汉众诚康健生物医药科技有限公司 2023-05-25 WO disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
EP-2785707-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS Bayer Intellectual Property GmbH (DE) 2014-10-08 EP disclosed
EP-2632436-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-09-04 EP disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
WO-2013079425-A1 NOVEL 2H-INDAZOLES AS EP2 RECEPTOR ANTAGONISTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-06 WO disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 WO disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
EP-2346843-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-27 EP disclosed
WO-2010028338-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B NR1H2 2271/4885BRD4 2793/4885CYP3A4 129/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 NR1H2 2161/4885BRD4 130/4885CYP3A4 1141/4885

“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.