SCHEMBL1521945

SCHEMBL1521945

[c]1ccccc1-c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.37
ADORA2A P29274 2/20 0.34
CNR2 P34972 1/20 0.33
FYN P06241 1/20 0.33
MEN1 O00255 6/20 0.32
CYP2D6 P10635 6/20 0.32
KMT2A Q03164 6/20 0.32
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 5/20 0.32
CYP2C19 P33261 5/20 0.32
USP2 O75604 5/20 0.32
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TDO2 P48775 1/20 0.32
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL25045 0.80
SCHEMBL21295640 0.80 IMPDH2 (0.36) IMPDH2FYNMEN1CYP2D6KMT2A
SCHEMBL21295658 0.80 ESR1 (0.34) IMPDH2
SCHEMBL38202 0.72 ALDH1A1 (0.42) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL183516 0.72 ALDH1A1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL41140 0.72 ALDH1A1 (0.42) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL23223 0.71
SCHEMBL115447 0.71 CYP3A4 (0.33) CYP3A4ALOX15
SCHEMBL10855091 0.71 CSNK2A1 (0.35) ADORA1
SCHEMBL10846367 0.71 PARP1 (0.36) MEN1CYP2D6KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1254465-C Calcilytic compounds NPS PHARMA INC (US) 2006-05-03 CN claimed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US claimed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US claimed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US claimed
CN-1221401-A Calcilytic compounds NPS PHARMA INC (US) 1999-06-30 CN claimed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP claimed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO claimed
US-5391561-A Microbiocides ROHM AND HAAS COMPANY (US) 1995-02-21 US claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed
EP-2231558-B1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-09-03 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-8354545-B2 3,4-substituted pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-01-15 US disclosed
CN-1037141-A The alkylamine derivative that replaces BANYU PHARMA CO LTD (JP) 1989-11-15 CN disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed
CN-1003855-B Process for preparing 1, 3-disubstituted 2-oxindoles 美国辉瑞有限公司 1989-04-12 CN disclosed
US-4721712-A 1,3-disubstituted 2-oxindoles as analgesic and anti-inflammatory agents PFIZER INC. (US) 1988-01-26 US disclosed
US-4658037-A RHEUMATIC DISEASES PFIZER INC. (US) 1987-04-14 US disclosed
US-4569942-A N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents PFIZER INC. (US) 1986-02-11 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 (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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 IMPDH2 4097/4885ADORA2A 1169/4885CNR2 233/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL IMPDH2 3512/4885ADORA2A 1148/4885CNR2 268/4885

“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.