SCHEMBL6544398

SCHEMBL6544398

O=C(OCc1ccccc1)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NOTUM Q6P988 2/20 0.48
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
HTR2C P28335 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
P2RX4 Q99571 2/20 0.43
P2RY1 P47900 2/20 0.42
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
AKT1 P31749 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
Hydrochloric Acid SCHEMBL7565105 0.99 NPC1 (0.50) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL6879976 0.87 XIAP (0.47) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL7542146 0.87 NPC1 (0.43) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL6543487 0.86 NOTUM (0.55) GAASMN1; SMN2HDAC1HDAC6NOTUM
SCHEMBL14295982 0.85 HDAC1 (0.54) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL1670307 0.85 NPC1 (0.54) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL6887035 0.84 NPC1 (0.47) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL14530335 0.82 HDAC1 (0.59) NPC1RAB9AGAAMAPK1SMN1; SMN2
SCHEMBL14529913 0.81 NOTUM (0.57) HDAC1HDAC6HDAC8NOTUMROCK2
SCHEMBL15772117 0.81 NPC1 (0.39) NPC1RAB9AGAAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US claimed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US claimed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
WO-2015028960-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AS GPR AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-03-05 WO disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US disclosed
EP-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 WO disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 US disclosed
WO-1997034604-A1 4-SPIROINDOLINE PIPERIDINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1997-09-25 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 (5 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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 NPC1 687/4885RAB9A 1965/4885GAA 1865/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 NPC1 1548/4885RAB9A 207/4885GAA 678/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 NPC1 1298/4885RAB9A 243/4885GAA 867/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 NPC1 687/4885RAB9A 1965/4885GAA 1865/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 NPC1 651/4885RAB9A 1130/4885GAA 126/4885

“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.