SCHEMBL6244353

SCHEMBL6244353

Oc1ccc2c(c1)CC[C@@]21C[C@@H](c2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.55
ESR2 Q92731 18/20 0.55
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
SLC6A2 P23975 1/20 0.50
NPY1R P25929 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
AVPR2 P30518 1/20 0.50
SLC6A4 P31645 1/20 0.50

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 SCHEMBL6249713 0.99 ESR1 (0.56) ESR1ESR2MLNRNR1I2NR3C1
Hydrochloric Acid SCHEMBL6246844 0.99 ESR1 (0.56) ESR1ESR2MLNRNR1I2NR3C1
Hydrochloric Acid SCHEMBL6245406 0.99 ESR1 (0.56) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL8103607 0.76 ESR1 (0.64) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL7625843 0.75 ESR1 (0.58) ESR1ESR2
SCHEMBL6058992 0.75 ESR1 (0.61) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL6058984 0.75 ESR1 (0.61) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL6058988 0.75 ESR1 (0.61) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL5070352 0.72 ESR1 (0.59) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL6245868 0.71 ESR1 (1.00) ESR1ESR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559707-A1 SPIRO COMPOUNDS, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP claimed
US-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1559707-A1 SPIRO COMPOUNDS, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2005-08-03 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 (1 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-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds ESRRA, ESR1, BRCA1 ESR1 2/4885ESR2 4/4885MLNR 1097/4885

“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.