SCHEMBL15025091

SCHEMBL15025091

COc1ccc2c(c1)CCN(N)CC2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.64
DRD5 P21918 8/20 0.64
DRD2 P14416 8/20 0.64
DRD3 P35462 8/20 0.64
DRD4 P21917 5/20 0.61
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
NOTUM Q6P988 1/20 0.47
CHRNA7 P36544 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL13068804 0.89 DRD1 (0.56) DRD1DRD5DRD2DRD3DRD4
SCHEMBL15033137 0.89 DRD1 (0.60) DRD1DRD5DRD2DRD3DRD4
SCHEMBL3698679 0.85 DRD1 (0.86) DRD1DRD5DRD2DRD3DRD4
SCHEMBL23975613 0.83 DRD1 (0.66) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10702384 0.83 DRD1 (0.83) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2607471 0.82 DRD1 (0.62) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29515933 0.80 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL14340583 0.80 DRD1 (0.88) DRD1DRD5DRD2DRD3DRD4
SCHEMBL24702127 0.79 DRD1 (0.60) DRD1DRD5DRD2DRD3DRD4
SCHEMBL15088517 0.79 HRH3 (0.61) DRD1DRD5DRD2DRD3DRD4

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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
EP-2788333-B1 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
WO-2013083741-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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 (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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 DRD1 3812/4885DRD5 3383/4885DRD2 3875/4885

“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.