SCHEMBL5605352

SCHEMBL5605352

Oc1ccc2c(c1)CCN(c1ccccc1)C2c1ccc(OCCN2CCC(O)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.78
ESR2 Q92731 15/20 0.78
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
NR3C1 P04150 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 1/20 0.53
SLC6A2 P23975 1/20 0.53
NPY1R P25929 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL669065 0.88 ESR1 (1.00) ESR1ESR2MLNRNR1I2NR3C1
Hydrochloric Acid SCHEMBL3776559 0.87 ESR1 (0.98) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL30583267 0.87 ESR1 (1.00) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL4325515 0.87 ESR1 (1.00) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL19439314 0.86 ESR1 (0.78) ESR1ESR2
SCHEMBL20234943 0.85 ESR1 (0.84) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL15038137 0.83 ESR1 (0.66) ESR1ESR2
SCHEMBL22297087 0.83 ESR1 (0.80) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL20211899 0.83 ESR1 (0.80) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL20143171 0.83 ESR1 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7255984-B2 Combination therapy for osteoporosis PFIZER INC. (US) 2007-08-14 US disclosed
US-6482825-B2 HEXAHYDRO-PYRAZOLO-(4,3-C)PYRIDINE DERIVATIVES USEFUL FOR INCREASING THE ENDOGENOUS PRODUCTION OR RELEASE OF GROWTH HORMONE IN A HUMAN OR OTHER ANIMAL, THUS TREAT OR PREVENT OSTEOPOROSIS PFIZER INC. 2002-11-19 US disclosed
US-20020049196-A1 Growth-hormone secretagogues RAQUALIA PHARMA INC. (JP) 2002-04-25 US disclosed
US-20010018451-A1 Use of estrogen antagonists and estrogen agonists in inhibiting pathological conditions MACLEAN DAVID B (US) 2001-08-30 US disclosed
US-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist KE HUA ZHU (US) 2001-07-26 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 (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-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist PTGER1, PTGER2, PTGER4 ESR1 7/4885ESR2 6/4885GRIN1 1019/4885
US-20010018451-A1 Use of estrogen antagonists and estrogen agonists in inhibiting pathological conditions GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885GRIN1 392/4885
US-20020049196-A1 Growth-hormone secretagogues GHSR, GHRHR, IGFBP6 ESR1 278/4885ESR2 233/4885GRIN1 1919/4885

“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.