SCHEMBL4426650

SCHEMBL4426650

COc1ccc2c(c1)CCC(c1ccccc1NCc1ccc(OCCN3CCCC3)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
LTA4H P09960 4/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
CACNA1B Q00975 7/20 0.46
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
BACE1 P56817 1/20 0.42
CACNA1H O95180 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
SCHEMBL229710 0.95 HRH3 (0.49) HRH3LTA4HESR1ESR2CACNA1B
SCHEMBL4419894 0.93 LTA4H (0.48) HRH3LTA4HESR1ESR2CACNA1B
SCHEMBL226148 0.92 LTA4H (0.48) HRH3LTA4HESR1ESR2
SCHEMBL227713 0.92 LTA4H (0.48) HRH3LTA4HESR1ESR2
SCHEMBL229530 0.90 HRH3 (0.47) HRH3LTA4HESR1ESR2EBP
SCHEMBL226369 0.89 LTA4H (0.44) HRH3LTA4HESR1ESR2CACNA1B
SCHEMBL227937 0.88 ESR1 (0.46) HRH3LTA4HESR1ESR2
SCHEMBL229817 0.88 LTA4H (0.47) HRH3LTA4HESR1ESR2CACNA1B
SCHEMBL227793 0.87 LTA4H (0.46) HRH3LTA4HESR1ESR2CACNA1B
SCHEMBL229531 0.86 HRH3 (0.45) HRH3LTA4HESR1ESR2EBP

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 5 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-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 (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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 HRH3 561/4885LTA4H 3180/4885ESR1 1/4885
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 HRH3 114/4885LTA4H 3104/4885ESR1 34/4885

“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.