SCHEMBL5454904

SCHEMBL5454904

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)CCCCNC(=O)c1ccncc1)C2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 5/20 0.49
DRD4 P21917 4/20 0.49
DRD2 P14416 5/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL5448637 0.97 HTR1A (0.50) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5448066 0.92 DRD2 (0.54) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5448035 0.91 DRD3 (0.50) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5450130 0.89 DRD2 (0.52) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5465823 0.89 HTR1A (0.48) HTR1AADRA1ADRD3DRD4
SCHEMBL5454844 0.88 DRD2 (0.49) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5445027 0.85 DRD2 (0.49) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5455289 0.84 DRD2 (0.52) HTR1ADRD4DRD2
SCHEMBL14596930 0.82 DRD3 (0.48) HTR1AADRA1ADRD3DRD4DRD2
SCHEMBL5452400 0.81 HTR1A (0.51) HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A HTR1A 3/4885ADRA1A 74/4885DRD3 92/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 HTR1A 3894/4885ADRA1A 3357/4885DRD3 4496/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HTR1A 3894/4885ADRA1A 3357/4885DRD3 4496/4885

“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.