SCHEMBL3376086

SCHEMBL3376086

CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
HCRTR2 O43614 1/20 0.47
HSD17B10 Q99714 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 1/20 0.44
UCHL1 P09936 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KLK7 P49862 1/20 0.43
KDM1A O60341 1/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR1H2 P55055 3/20 0.42
RXRA P19793 2/20 0.42
NR1H3 Q13133 2/20 0.42
RORC P51449 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6207624 1.00 RIPK1 (0.51) RIPK1HCRTR2HSD17B10GPR119NPC1
SCHEMBL24332603 0.92 GPR119 (0.46) RIPK1HCRTR2GPR119KDM1ANR1H2
SCHEMBL29573647 0.92 GPR119 (0.46) RIPK1HCRTR2GPR119KDM1ANR1H2
SCHEMBL26303517 0.92 GPR119 (0.46) RIPK1HCRTR2GPR119KDM1ANR1H2
SCHEMBL28379319 0.88 MEN1 (0.43) RIPK1HSD17B10NPC1UCHL1MEN1
SCHEMBL5784217 0.86 RIPK1 (0.52) RIPK1HCRTR2HSD17B10GPR119NPC1
SCHEMBL9025059 0.86 RIPK1 (0.52) RIPK1HCRTR2HSD17B10GPR119NPC1
SCHEMBL9023721 0.86 RIPK1 (0.52) RIPK1HCRTR2HSD17B10GPR119NPC1
SCHEMBL8125588 0.86 RIPK1 (0.52) RIPK1HCRTR2HSD17B10GPR119NPC1
SCHEMBL9024840 0.86 RIPK1 (0.52) RIPK1HCRTR2HSD17B10GPR119NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545525-B1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-11-10 EP disclosed
EP-1119356-B1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-08-19 EP disclosed
EP-1545525-A4 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-07-01 EP disclosed
US-7354935-B2 Radiolabeled neurokinin-1 receptor antagonists MERCK & CO. INC. (US) 2008-04-08 US disclosed
US-7354935-B2 Radiolabeled neurokinin-1 receptor antagonists MERCK & CO. INC. (US) 2008-04-08 US disclosed
EP-1119356-A4 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-01-09 EP disclosed
US-20050214204-A1 Radiolabeled neurokinin-1 receptor antagonists MERCK SHARP & DOHME CORP. 2005-09-29 US disclosed
US-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists PFIZER INC. (US) 2005-08-04 US disclosed
EP-1545525-A2 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2005-06-29 EP disclosed
EP-0942733-B1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING COGNITIVE DISORDERS MERCK SHARP & DOHME (GB) 2005-04-27 EP disclosed
US-5977104-A Use of NK-1 receptor antagonists for treating bipolar disorders MERCK SHARP & DOHME LTD. (GB) 1999-11-02 US disclosed
US-5972930-A TREATING GASTROINTESTINAL DISORDER, A CENTRAL NERVOUS SYSTEM DISORDER, AN INFLAMMATORY DISEASE, EMESIS, URINARY INCONTINENCE, PAIN, MIGRAINE, SUNBURN, ANGIOGENESIS, DISEASES CAUSED BY HELICOBACTER PYLORI PFIZER, INC. (US) 1999-10-26 US disclosed
US-5952315-A TREATING PHYSIOLOGICAL DISORDERS, DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS ANXIETY, DEPRESSION AND PSYCHOSIS WITH AN ANTIDEPRESSANT MERCK SHARP & DOHME LTD. (GB) 1999-09-14 US disclosed
US-5929054-A Use of NK-1 receptor antagonists for treating sexual dysfunctions MERCK SHARP (GB) 1999-07-27 US disclosed
US-5925627-A Use of NK-1 receptor antagonists for treating movement disorders MERCK SHARP & DOHME LTD. (GB) 1999-07-20 US disclosed
US-5919781-A Use of NK-1 receptor antogonists for treating substance use disorders MERCK SHARP & DOHME LTD. (GB) 1999-07-06 US disclosed
WO-1999025714-A1 PIPERIDINYLAMINOMETHYL TRIFLUOROMETHYL CYCLIC ETHER COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-05-27 WO disclosed
US-5789423-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-08-04 US disclosed
EP-0824100-A1 Piperidinylamino tricyclic compouds as substance P antagonists PFIZER INC. (US) 1998-02-18 EP disclosed
EP-0780375-A1 3-((5-substituted benzyl)amino)-2-phenylpiperidines as substance p antagonists PFIZER INC. (US) 1997-06-25 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 (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-20050214204-A1 Radiolabeled neurokinin-1 receptor antagonists TACR1, TACR2, NTSR1 RIPK1 2602/4885HCRTR2 72/4885HSD17B10 4346/4885
US-20050171354-A1 Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists HRH2, TACR1, HRH4 RIPK1 3890/4885HCRTR2 180/4885HSD17B10 3422/4885

“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.