SCHEMBL1306328

SCHEMBL1306328

CC(C)N1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.58
HRH3 Q9Y5N1 3/20 0.58
ESRRG P62508 8/20 0.50
ESRRB O95718 5/20 0.50
ESR1 P03372 4/20 0.50
PARP1 P09874 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.43
MLYCD O95822 1/20 0.43
CCR1 P32246 3/20 0.41

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
Hydrochloric Acid SCHEMBL4652120 0.98 KCNH2 (0.57) KCNH2HRH3ESRRGESRRBESR1
SCHEMBL25453173 0.87 HRH3 (0.55) KCNH2HRH3ESRRGESRRBESR1
SCHEMBL16304063 0.86 KCNH2 (0.54) KCNH2HRH3ESRRGESRRBESR1
SCHEMBL4653289 0.83 HRH3 (0.51) KCNH2HRH3ESRRGESRRBESR1
SCHEMBL23384133 0.83 HRH3 (0.51) KCNH2HRH3ESRRGESRRBESR1
Iodide SCHEMBL4653287 0.82 HRH3 (0.50) KCNH2HRH3ESRRGESRRBESR1
SCHEMBL10057672 0.82 KMO (0.61) KCNH2HRH3ESRRGESRRBESR1
SCHEMBL1305458 0.81 HDAC3 (0.55) ESRRGUSP2ALDH1A1MLYCD
SCHEMBL15379923 0.81 NAMPT (0.56) KCNH2HRH3CCR1
SCHEMBL18403655 0.81 KCNH2 (0.48) KCNH2HRH3ESRRGESRRBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US disclosed
EP-2044075-B1 FURO [3, 2-B] PYRROL DERIVATIVES AMURA THERAPEUTICS LTD (GB) 2013-01-02 EP disclosed
EP-2046796-B1 TETRAHYDROFURO [3, 2 -B]PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-10-24 EP disclosed
EP-2046795-B1 FURO[3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-10-17 EP disclosed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP disclosed
EP-2046798-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-16 EP disclosed
US-8053437-B2 Furo[3. 2-B] pyrrol derivatives AMURA THERAPEUTICS LIMITED (GB) 2011-11-08 US disclosed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007114-A1 TETRAHYDROFURO [3, 2 -B] PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007109-A1 FURO[3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007103-A1 FURO [3, 2-B] PYRROL DERIVATIVES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007130-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007112-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
CN-1636980-A Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2005-07-13 CN disclosed
CN-1183122-C Dipeptide nitrile cathepsin K inhibitors ��˹��ŵ�� 2005-01-05 CN disclosed
CN-1398260-A Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2003-02-19 CN 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-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 KCNH2 3042/4885HRH3 4015/4885ESRRG 2081/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE KCNH2 3229/4885HRH3 13/4885ESRRG 3559/4885

“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.