SCHEMBL7041152

SCHEMBL7041152

CC(C)CCN(c1ccc(CCc2ccc(Cl)cc2)cc1)[C@H]1CCN(CC(N)CC(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 7/20 0.38
▸ CHIA Q9BZP6 7/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ CACNA1B Q00975 8/20 0.38
▸ PGR P06401 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7041149 1.00 CHIT1 (0.38) CHIT1CHIAKCNH2CACNA1BPGR
SCHEMBL7037890 0.95 CACNA1B (0.41) CHIT1CHIAKCNH2CACNA1BGPR88
SCHEMBL7037884 0.95 CACNA1B (0.41) CHIT1CHIAKCNH2CACNA1BGPR88
SCHEMBL7037881 0.95 CACNA1B (0.41) CHIT1CHIAKCNH2CACNA1BGPR88
SCHEMBL7045078 0.94 CACNA1B (0.37) CHIT1CHIAKCNH2CACNA1BGPR88
SCHEMBL7045080 0.94 CACNA1B (0.37) CHIT1CHIAKCNH2CACNA1BGPR88
SCHEMBL7040547 0.91 CACNA1B (0.42) KCNH2CACNA1B
SCHEMBL7040550 0.91 CACNA1B (0.42) KCNH2CACNA1B
SCHEMBL7045064 0.90 TSHR (0.39) CACNA1BCCR5GPR88
SCHEMBL7045060 0.90 TSHR (0.39) CACNA1BCCR5GPR88

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
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 CHIT1 2209/4885CHIA 4175/4885KCNH2 44/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CHIT1 2209/4885CHIA 4175/4885KCNH2 44/4885

“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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