SCHEMBL7043580

SCHEMBL7043580

CC(C)CCN(c1ccc(CCc2ccc(F)cc2)cc1)C1CCCN(CC(N)CC(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GPR88 Q9GZN0 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ AOC3 Q16853 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
SCHEMBL7043582 1.00 CACNA1B (0.37) CACNA1BTSHRSIGMAR1MAOBSLC6A2
SCHEMBL7045064 0.94 TSHR (0.39) CACNA1BTSHRGPR88
SCHEMBL7045060 0.94 TSHR (0.39) CACNA1BTSHRGPR88
SCHEMBL7037867 0.91 CACNA1B (0.41) CACNA1BGPR88
SCHEMBL7037864 0.91 CACNA1B (0.41) CACNA1BGPR88
SCHEMBL7045080 0.90 CACNA1B (0.37) CACNA1BSIGMAR1CHRM1GPR88
SCHEMBL7045078 0.90 CACNA1B (0.37) CACNA1BSIGMAR1CHRM1GPR88
SCHEMBL7043015 0.89 CACNA1B (0.41) CACNA1BTSHRGPR88
SCHEMBL7043020 0.89 CACNA1B (0.41) CACNA1BTSHRGPR88
SCHEMBL7043269 0.89 CACNA1B (0.41) CACNA1BTSHRGPR88

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 6 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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 — — 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
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 2/4885TSHR 3837/4885SIGMAR1 2760/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885TSHR 3837/4885SIGMAR1 2760/4885

“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.

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