SCHEMBL1163570

SCHEMBL1163570

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
INPP5D Q92835 2/20 0.98
CDC25A P30304 4/20 0.65
BCHE P06276 1/20 0.64
ACHE P22303 1/20 0.64
POLA1 P09884 1/20 0.64
OSBP P22059 1/20 0.59
OSBP2 Q969R2 1/20 0.59
KMT2A Q03164 1/20 0.57
SRD5A1 P18405 3/20 0.57
SRD5A2 P31213 3/20 0.57
ST6GAL1 P15907 1/20 0.57
NPC1L1 Q9UHC9 1/20 0.55
TP53 P04637 2/20 0.54
MAPK1 P28482 2/20 0.54
CASP7 P55210 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GPBAR1 Q8TDU6 2/20 0.54
BLM P54132 2/20 0.54

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
SCHEMBL8021037 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL20004917 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL18541453 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL21946613 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL23016826 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL1163573 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL23645781 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL22712829 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL24104271 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL21589991 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889631-B2 Disruptors of early/recycling endosomes THE UNIVERSITY OF KANSAS (US) 2014-11-18 US claimed
WO-2010022051-A2 DISRUPTORS OF EARLY/RECYCLING ENDOSOMES UNIVERSITY OF KANSAS (US) 2010-02-25 WO claimed
US-20100041773-A1 DISRUPTORS OF EARLY/RECYCLING ENDOSOMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US claimed
EP-3581563-B1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION OF THE STATE UNIV OF NEW YORK (US) 2023-06-28 EP disclosed
US-20220162254-A1 SHIP INHIBITORS AND USES THEREOF UNIV NEW YORK STATE RES FOUND (US) 2022-05-26 US disclosed
US-11319336-B2 Ship inhibitors and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2022-05-03 US disclosed
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS UNIV NEW YORK STATE RES FOUND (US) 2022-01-27 US disclosed
EP-3695841-A2 SHIP INHIBITION TO COMBAT OBESITY The Research Foundation for the State University of New York (US) 2020-08-19 EP disclosed
EP-2556055-B1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION OF THE STATE UNIV OF NEW YORK (US) 2019-07-31 EP disclosed
US-9636419-B2 Targeting multiple receptors on a cell surface for specific cell targeting The Universit of Kansas (US) 2017-05-02 US disclosed
US-20170051006-A1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-02-23 US disclosed
US-8889631-B2 Disruptors of early/recycling endosomes THE UNIVERSITY OF KANSAS (US) 2014-11-18 US disclosed
US-8637468-B2 Synthetic cholesterylamine-linker derivatives for agent delivery into cells THE UNIVERSITY OF KANSAS (US) 2014-01-28 US disclosed
US-20130102577-A1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2013-04-25 US disclosed
US-20130102577-A1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2013-04-25 US disclosed
US-20120208771-A1 SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS THE PENN STATE RESEARCH FOUNDATION (US) 2012-08-16 US disclosed
WO-2011127465-A2 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2011-10-13 WO disclosed
WO-2011019942-A2 SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS UNIVERSITY OF KANSAS (US) 2011-02-17 WO disclosed
WO-2010022051-A2 DISRUPTORS OF EARLY/RECYCLING ENDOSOMES UNIVERSITY OF KANSAS (US) 2010-02-25 WO disclosed
US-20100041773-A1 DISRUPTORS OF EARLY/RECYCLING ENDOSOMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US 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-20120208771-A1 SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS NPC1L1, CETP, CYP46A1 CYP2D6 3525/4885CYP2C19 2914/4885INPP5D 2435/4885
US-20130102577-A1 SHIP INHIBITORS AND USES THEREOF PPP5C, DUSP1, DUSP5 CYP2D6 3990/4885CYP2C19 4686/4885INPP5D 53/4885
US-11319336-B2 Ship inhibitors and uses thereof PPP5C, DUSP1, DUSP5 CYP2D6 3990/4885CYP2C19 4686/4885INPP5D 53/4885
US-20220023315-A1 METHODS OF ACTIVATING MICROGLIAL CELLS LPCAT3, PLAAT2, PLA2G4B CYP2D6 4879/4885CYP2C19 4881/4885INPP5D 50/4885
US-20220162254-A1 SHIP INHIBITORS AND USES THEREOF PPP5C, DUSP1, DUSP5 CYP2D6 3990/4885CYP2C19 4686/4885INPP5D 53/4885
US-20100041773-A1 DISRUPTORS OF EARLY/RECYCLING ENDOSOMES EEA1, NSF, LAMP2 CYP2D6 4832/4885CYP2C19 4885/4885INPP5D 1185/4885
US-20170051006-A1 SHIP INHIBITORS AND USES THEREOF PPP5C, DUSP1, DUSP5 CYP2D6 3990/4885CYP2C19 4686/4885INPP5D 53/4885

“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.