SCHEMBL4572204

SCHEMBL4572204

CCNCC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.48
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.30
GBA1 P04062 2/20 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
Hydrochloric Acid SCHEMBL4669450 0.98 SAT1 (0.47) SAT1NPC1RAB9AKCNH3GNAI3
SCHEMBL8551637 0.86
SCHEMBL5360130 0.85 KCNH3 (0.37) SAT1NPC1RAB9AKCNH3GBA1
SCHEMBL4962562 0.82 SAT1 (0.45) SAT1NPC1RAB9AKCNH3GNAI3
SCHEMBL124276 0.82
Hydrochloric Acid SCHEMBL28865713 0.79 SAT1 (0.62) SAT1GNAI3GNAO1GNAI1TP53
Hydrochloric Acid SCHEMBL5395476 0.79
SCHEMBL21099156 0.77 CHRM2 (0.43) SAT1
SCHEMBL5050533 0.77
SCHEMBL2391818 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 EP disclosed
EP-4173675-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2023-05-03 EP disclosed
WO-2023003862-A1 CXCR4 MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-01-26 WO disclosed
WO-2021114691-A1 NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-06-17 WO disclosed
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 WO disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 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 (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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 SAT1 1918/4885NPC1 174/4885RAB9A 2618/4885
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 SAT1 965/4885NPC1 4045/4885RAB9A 2571/4885
US-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R SAT1 2210/4885NPC1 3211/4885RAB9A 1587/4885
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 SAT1 357/4885NPC1 7/4885RAB9A 4394/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 SAT1 1151/4885NPC1 3198/4885RAB9A 191/4885
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES NPY5R, XDH, NPY4R SAT1 2210/4885NPC1 3211/4885RAB9A 1587/4885
US-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP SAT1 322/4885NPC1 6/4885RAB9A 3924/4885

“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.