SCHEMBL5215880

SCHEMBL5215880

Oc1ccc(-c2nn(C3CCC3)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.52
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.39
MAT2A P31153 1/20 0.39
ESR2 Q92731 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGIR P43119 1/20 0.37
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
BTK Q06187 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5213225 0.88 ESR1 (0.49) ESR1HTR2AHTR2CHTR2BLCK
SCHEMBL5219865 0.86 ESR1 (0.46) ESR1HTR2AHTR2CHTR2BKMT2A
SCHEMBL5213473 0.85 ESR1 (0.46) ESR1HTR2AHTR2CHTR2BKMT2A
SCHEMBL5221565 0.84 ESR1 (0.45) ESR1HTR2AHTR2CHTR2BKMT2A
SCHEMBL5252401 0.83 ESR1 (0.44) ESR1HTR2AHTR2CHTR2BKMT2A
SCHEMBL5374823 0.82 ESR1 (0.47) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5216940 0.81 ESR1 (0.45) ESR1HTR2AHTR2CHTR2BESR2
SCHEMBL5222340 0.81 ESR1 (0.49) ESR1HTR2AHTR2CHTR2BKMT2A
SCHEMBL5215537 0.80 ESR1 (0.44) ESR1HTR2AHTR2CHTR2BKMT2A
SCHEMBL5219863 0.80 ESR1 (0.50) ESR1HTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885HTR2A 1129/4885HTR2C 1072/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885HTR2A 1129/4885HTR2C 1072/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885HTR2A 1129/4885HTR2C 1072/4885

“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.