SCHEMBL227569

SCHEMBL227569

COc1ccc2c(c1)CCC(c1ccccc1NC(C)=O)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.51
MTNR1B P49286 6/20 0.51
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
ACHE P22303 3/20 0.48
ATM Q13315 1/20 0.45
NQO2 P16083 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL226397 0.91 MTNR1A (0.53) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL226005 0.85 CA1 (0.45) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL22346108 0.84 ESR1 (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL29193601 0.84 ESR1 (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL224674 0.82 DRD2 (0.48) CA1CA2ACHE
SCHEMBL227574 0.77 DRD2 (0.50) CA1CA2ACHE
SCHEMBL2828615 0.77 CA1 (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL228890 0.76 CYP26A1 (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL226391 0.76 CYP26A1 (0.48) CA1CA2ACHESMN1; SMN2
SCHEMBL15876513 0.76 KCNQ2 (0.50) MTNR1BCA1CA2ACHESMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 MTNR1A 32/4885MTNR1B 90/4885CA1 304/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 MTNR1A 504/4885MTNR1B 1096/4885CA1 442/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MTNR1A 34/4885MTNR1B 89/4885CA1 339/4885

“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.