SCHEMBL7043363

SCHEMBL7043363

CC(C)CCN(c1ccc(NCc2ccc(O)cc2)cc1)C1CCN(C(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.60
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AGER Q15109 1/20 0.32

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
SCHEMBL7040844 0.93 CACNA1B (0.60) CACNA1BMEN1KMT2ACA1CA2
SCHEMBL7041777 0.93 CACNA1B (0.60) CACNA1BMEN1KMT2AGAAMAPT
SCHEMBL7038931 0.86 CACNA1B (0.59) CACNA1BMEN1KMT2A
SCHEMBL7043640 0.84 CACNA1B (0.61) CACNA1BMEN1KMT2A
SCHEMBL7043564 0.84 CACNA1B (0.60) CACNA1BMEN1KMT2A
SCHEMBL7037026 0.84 CACNA1B (0.62) CACNA1BKDM4ELMNAGAASMN1; SMN2
SCHEMBL7037600 0.83 CACNA1B (0.54) CACNA1BMEN1KMT2A
SCHEMBL7040536 0.83 CACNA1B (0.46) CACNA1BMEN1KMT2A
SCHEMBL7352079 0.82 CACNA1B (0.62) CACNA1BMEN1KMT2ACA1CA2
SCHEMBL7037550 0.81 CACNA1B (0.46) CACNA1BMEN1KMT2A

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 claimed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US claimed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO claimed
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

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.