SCHEMBL7037543

SCHEMBL7037543

CC(C)=CCN(c1ccc(CCc2ccccc2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
STS P08842 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7385841 0.90 CACNA1B (0.51) CACNA1BMEN1KMT2AGPR119
SCHEMBL7040340 0.89 CACNA1B (0.69) CACNA1BMEN1KMT2A
SCHEMBL7036969 0.85 MEN1 (0.46) CACNA1BMEN1KMT2AGPR119
SCHEMBL7038257 0.85 CACNA1B (0.51) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL7043625 0.84 CACNA1B (0.76) CACNA1BMEN1KMT2A
SCHEMBL7043621 0.84 CACNA1B (0.76) CACNA1BMEN1KMT2A
SCHEMBL7388010 0.84 NPC1 (0.54) CACNA1BMEN1KMT2AGPR119
SCHEMBL7381620 0.82 CACNA1B (0.57) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL7393443 0.82 CACNA1B (0.51) CACNA1BMEN1KMT2AGPR119
SCHEMBL7787549 0.81 CACNA1B (0.51) CACNA1BMEN1KMT2AJAK2JAK1

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-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US disclosed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 US disclosed
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 WO disclosed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 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 (2 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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885MEN1 829/4885KMT2A 4017/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885MEN1 829/4885KMT2A 4017/4885

“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.