SCHEMBL5007965

SCHEMBL5007965

CCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 14/20 1.00
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.47

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
SCHEMBL21354526 0.82 CACNA2D1 (0.69) CACNA2D1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5008038 0.81 CACNA2D1 (0.68) CACNA2D1
SCHEMBL5009924 0.80 CACNA2D1 (0.67) CACNA2D1ALDH1A1MAPTGAAKDM4E
SCHEMBL5004780 0.80 CACNA2D1 (0.67) CACNA2D1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5005203 0.79 CACNA2D1 (0.64) CACNA2D1
SCHEMBL5001008 0.76 CACNA2D1 (0.64) CACNA2D1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5001448 0.76 CACNA2D1 (0.61) CACNA2D1
SCHEMBL5832320 0.74 AVPR1A (0.72)
SCHEMBL13145611 0.73 CACNA2D1 (0.57) CACNA2D1ALDH1A1MAPTGAAKDM4E
SCHEMBL5001445 0.73 CACNA2D1 (0.64) CACNA2D1

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-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed
US-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds MERCK SHARP & DOHME CORP. 2006-07-13 US disclosed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 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-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds GRIN2C, CACNA1C, CACNG4 CACNA2D1 6/4885ALDH1A1 1590/4885MAPT 455/4885

“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.