SCHEMBL3608095

SCHEMBL3608095

CC(=O)c1cnc(O)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
ALDH1A1 P00352 3/20 0.40
SIRT6 Q8N6T7 2/20 0.35
MAPK1 P28482 1/20 0.31
P4HA1 P13674 1/20 0.31
MIF P14174 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
CA5A P35218 1/20 0.31
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL29526226 1.00 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL13165465 0.87 KCNJ1 (0.52) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL29957141 0.78 KDM4E (0.48) ALDH1A1SIRT6MAPK1P4HA1MIF
SCHEMBL15305157 0.78 KDM4E (0.48) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL241781 0.78 KDM4E (0.48) ALDH1A1SIRT6MAPK1P4HA1MIF
SCHEMBL5041030 0.76 SIRT6 (0.59) KCNJ1ALDH1A1SIRT6P4HA1MIF
SCHEMBL16664325 0.76 SIRT6 (0.39) ALDH1A1SIRT6P4HA1MIFP4HTM
SCHEMBL21477593 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6MAPK1P4HA1
SCHEMBL30091932 0.76 POLB (0.50) KCNJ1ALDH1A1POLBKDM4EMEN1
SCHEMBL3608091 0.76 KCNJ1 (0.44) KCNJ1ALDH1A1SIRT6MAPK1P4HA1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B NOVARTIS AG (CH) 2024-12-10 US disclosed
WO-2024026486-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
CN-116600657-A Application of naringenin in improving quality of phlorizin taste 西姆莱斯有限公司 2023-08-15 CN disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-08-25 US disclosed
EP-3983406-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2022-04-20 EP disclosed
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B CADENT THERAPEUTICS, INC (US) 2021-09-14 US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
US-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B NOVARTIS AG (CH) 2015-08-13 US disclosed
WO-2015048507-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
WO-2015048507-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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 (7 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-20150225342-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A KCNJ1 2839/4885ALDH1A1 3757/4885SIRT6 3786/4885
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK KCNJ1 93/4885ALDH1A1 707/4885SIRT6 760/4885
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A KCNJ1 2839/4885ALDH1A1 3757/4885SIRT6 3786/4885
US-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF AADAC, ACSL3, ACSL1 KCNJ1 897/4885ALDH1A1 304/4885SIRT6 1350/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 KCNJ1 355/4885ALDH1A1 902/4885SIRT6 885/4885
US-11116749-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A KCNJ1 2839/4885ALDH1A1 3757/4885SIRT6 3786/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A KCNJ1 2839/4885ALDH1A1 3757/4885SIRT6 3786/4885

“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.