SCHEMBL7040855

SCHEMBL7040855

CC(CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)[CH]Cc2ccncc2)CC1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 12/20 0.51
▸ PRMT5 O14744 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ CCR5 P51681 2/20 0.38

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
SCHEMBL7040104 0.90 CACNA1B (0.50) CACNA1BPRMT5SMN1; SMN2ALOX5CCR5
SCHEMBL7043603 0.88 CACNA1B (0.48) CACNA1BPRMT5
SCHEMBL7043716 0.87 CACNA1B (0.51) CACNA1B
SCHEMBL7036883 0.85 CACNA1B (0.60) CACNA1BPRMT5ALOX5CCR5
SCHEMBL7041891 0.84 CACNA1B (0.59) CACNA1BPRMT5SMN1; SMN2NPC1ALOX5
SCHEMBL7041055 0.81 CACNA1B (0.57) CACNA1BPRMT5SMN1; SMN2ALOX5CCR5
SCHEMBL7040271 0.81 CACNA1B (0.52) CACNA1BPRMT5SMN1; SMN2NPC1ALOX5
SCHEMBL7043585 0.81 CACNA1B (0.50) CACNA1BCCR5
SCHEMBL7040137 0.81 CACNA1B (0.57) CACNA1BPRMT5SMN1; SMN2ALOX5CCR5
SCHEMBL7045046 0.81 CACNA1B (0.57) CACNA1BPRMT5SMN1; SMN2ALOX5CCR5

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
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

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 2/4885PRMT5 4148/4885SMN1; SMN2 1321/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885PRMT5 4148/4885SMN1; SMN2 1321/4885

“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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