SCHEMBL7041179

SCHEMBL7041179

CC(C)CCN(c1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 14/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PPARG P37231 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ TEC P42680 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 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
SCHEMBL7036883 0.90 CACNA1B (0.60) CACNA1B
SCHEMBL7040536 0.88 CACNA1B (0.46) CACNA1BMEN1KMT2A
SCHEMBL7042629 0.88 CACNA1B (0.43) CACNA1B
SCHEMBL7037600 0.87 CACNA1B (0.54) CACNA1BMEN1KMT2A
SCHEMBL7041055 0.85 CACNA1B (0.57) CACNA1BSMN1; SMN2LMNA
SCHEMBL7039993 0.85 CACNA1B (0.48) CACNA1BBTK
SCHEMBL7041777 0.84 CACNA1B (0.60) CACNA1BMEN1KMT2AGAAMAPT
SCHEMBL7038867 0.84 CACNA1B (0.56) CACNA1BSMN1; SMN2LMNARAB9A
SCHEMBL7041891 0.84 CACNA1B (0.59) CACNA1BSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7043716 0.83 CACNA1B (0.51) CACNA1B

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 CACNA1B 2/4885SMN1; SMN2 1321/4885PPARG 3299/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885SMN1; SMN2 1321/4885PPARG 3299/4885

“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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