SCHEMBL5729099

SCHEMBL5729099

NC(CCCCl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 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
SCHEMBL10915779 0.86 SCN4A (0.47) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14528139 0.86 SCN4A (0.47) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29191731 0.86 SCN4A (0.47) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17373052 0.86 SCN4A (0.50) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL28350804 0.84 SCN4A (0.48) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2781356 0.81 DPP4 (0.55) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2781359 0.81 DPP4 (0.55) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2784864 0.81 DPP4 (0.55) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3634229 0.80 HRH1 (0.68) SCN4AHTR2AHRH1DPP4F2
SCHEMBL8661012 0.80 HRH1 (0.61) SCN4AHTR2AHRH1DPP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 WO 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 SCN4A 4306/4885GRIN2D 1628/4885GRIN3B 271/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 SCN4A 4306/4885GRIN2D 1628/4885GRIN3B 271/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 SCN4A 4760/4885GRIN2D 3376/4885GRIN3B 996/4885

“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.