SCHEMBL453867

SCHEMBL453867

O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1NC(=O)[C@H](c1ccc(F)cc1)[C@@H](CO)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.59
CCKAR P32238 8/20 0.59
NOTCH1 P46531 4/20 0.49
NOTCH3 Q9UM47 3/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
RBPJ Q06330 1/20 0.47

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
SCHEMBL14876987 1.00 CCKBR (0.59) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL14876985 1.00 CCKBR (0.59) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL14886969 1.00 CCKBR (0.59) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL6005878 1.00 CCKBR (0.59) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL6003659 0.94 CCKBR (0.52) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL6005033 0.94 CCKBR (0.52) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL6006097 0.92 CCKBR (0.52) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL14886931 0.90 CCKBR (0.57) CCKBRCCKARNOTCH1NOTCH3RBPJ
SCHEMBL6005603 0.90 CCKBR (0.61) CCKBRCCKARNOTCH1NOTCH3PSEN1
SCHEMBL6005796 0.88 CCKBR (0.46) CCKBRCCKARPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883502-B2 Expandable cell source of neuronal stem cell populations and methods for obtaining and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-11 US claimed
US-20130236436-A1 EXPANDABLE CELL SOURCE OF NEURONAL STEM CELL POPULATIONS AND METHODS FOR OBTAINING AND USNIG THEM ZHANG KANG (US) 2013-09-12 US claimed
US-8377886-B2 Use of gamma secretase inhibitors and notch pathway inhibitors for treatment and prevention of renal disease ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-02-19 US claimed
EP-3458076-B1 HUMAN AIRWAY STEM CELLS IN LUNG EPITHELIAL ENGINEERING MASSACHUSETTS GEN HOSPITAL (US) 2026-03-04 EP disclosed
EP-3970725-B1 A GAMMA SECRETASE INHIBITOR FOR TREATING HEARING LOSS MASSACHUSETTS EYE & EAR INFIRMARY (US) 2025-08-20 EP disclosed
US-20250099539-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS AND/OR SUPPORTING CELLS MASSACHUSETTS EYE AND EAR INFIRMARY 2025-03-27 US disclosed
US-12239651-B2 Treatment of hearing loss MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2025-03-04 US disclosed
US-12156899-B2 Methods and compositions for regenerating hair cells and/or supporting cells MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2024-12-03 US disclosed
US-20240299432-A1 TREATMENT OF HEARING LOSS MASSACHUSETTS EYE AND EAR INFIRMARY 2024-09-12 US disclosed
US-20240299462-A1 ENDOCRINE CELLS THAT EXPRESS CHROMOGRANIN A VIACYTE, INC. (US) 2024-09-12 US disclosed
US-20230277574-A1 TREATMENT OF HEARING LOSS MASSACHUSETTS EYE AND EAR INFIRMARY 2023-09-07 US disclosed
WO-2014160413-A1 IN VITRO DIFFERENTIATION OF PLURIPOTENT STEM CELLS TO PANCREATIC ENDODERM CELLS (PEC) AND ENDOCRINE CELLS VIACYTE, INC. (US) 2014-10-02 WO disclosed
US-20140271566-A1 IN VITRO DIFFERENTIATION OF PLURIPOTENT STEM CELLS TO PANCREATIC ENDODERM CELLS (PEC) AND ENDOCRINE CELLS VIACYTE, INC. (US) 2014-09-18 US disclosed
WO-2014039908-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS AND/OR SUPPORTING CELLS MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2014-03-13 WO disclosed
US-20130236436-A1 EXPANDABLE CELL SOURCE OF NEURONAL STEM CELL POPULATIONS AND METHODS FOR OBTAINING AND USNIG THEM ZHANG KANG (US) 2013-09-12 US disclosed
US-8377886-B2 Use of gamma secretase inhibitors and notch pathway inhibitors for treatment and prevention of renal disease ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-02-19 US disclosed
US-20120090043-A1 TARGETS FOR RETROVIRUS ASSOCIATED DISEASES UNIVERSITE DE LIEGE (BE) 2012-04-12 US disclosed
WO-2012034101-A2 EXPANDABLE CELL SOURCE OF NEURONAL STEM CELL POPULATIONS AND METHODS FOR OBTAINING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 WO disclosed
US-20100222283-A1 USE OF GAMMA SECRETASE INHIBITORS AND NOTCH PATHWAY INHIBITORS FOR TREATMENT AND PREVENTION OF RENAL DESEASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2010-09-02 US disclosed
WO-2009035522-A1 USE OF GAMMA SECRETASE INHIBITORS AND NOTCH PATHWAY INHIBITORS FOR TREATMENT AND PREVENTION OF RENAL DISEASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2009-03-19 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 (6 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-20240299432-A1 TREATMENT OF HEARING LOSS HES1, NOTCH1, NOTCH4 CCKBR 4546/4885CCKAR 4716/4885NOTCH1 2/4885
US-20230277574-A1 TREATMENT OF HEARING LOSS HES1, NOTCH1, NOTCH4 CCKBR 4546/4885CCKAR 4716/4885NOTCH1 2/4885
US-12156899-B2 Methods and compositions for regenerating hair cells and/or supporting cells HES1, NOTCH1, NOTCH4 CCKBR 2482/4885CCKAR 3703/4885NOTCH1 2/4885
US-20250099539-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS AND/OR SUPPORTING CELLS HES1, NOTCH1, NOTCH4 CCKBR 2482/4885CCKAR 3703/4885NOTCH1 2/4885
US-20100222283-A1 USE OF GAMMA SECRETASE INHIBITORS AND NOTCH PATHWAY INHIBITORS FOR TREATMENT AND PREVENTION OF RENAL DESEASE BACE1, GSAP, BACE2 CCKBR 2971/4885CCKAR 3865/4885NOTCH1 12/4885
US-12239651-B2 Treatment of hearing loss HES1, NOTCH1, NOTCH4 CCKBR 4546/4885CCKAR 4716/4885NOTCH1 2/4885

“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.