SCHEMBL4420601

SCHEMBL4420601

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NCCN1CCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
NPY5R Q15761 1/20 0.41
MAOB P27338 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL4508272 0.99 MAOB (0.43) DRD2DRD4NPY5RMAOBHRH3
SCHEMBL4416793 0.89 BACE1 (0.40) DRD2DRD4MAOBHRH3SIGMAR1
SCHEMBL224148 0.86 LTA4H (0.46) MAOBHRH3
SCHEMBL4415528 0.86 LTA4H (0.46) MAOBHRH3
SCHEMBL226485 0.86 LTA4H (0.46) MAOBHRH3
SCHEMBL4419894 0.85 LTA4H (0.48) MAOBHRH3SIGMAR1
SCHEMBL227713 0.84 LTA4H (0.48) MAOBHRH3
SCHEMBL226148 0.84 LTA4H (0.48) MAOBHRH3
SCHEMBL4416538 0.84 DRD2 (0.44) DRD2DRD4
SCHEMBL224509 0.83 DRD2 (0.50) DRD2DRD4

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 DRD2 2301/4885DRD4 2264/4885NPY5R 998/4885
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 DRD2 2692/4885DRD4 2294/4885NPY5R 1283/4885

“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.