SCHEMBL7043591

SCHEMBL7043591

CC(C)=CCN(c1ccc(CCc2ccccc2)cc1)C1CCN(C[C@@H](N)CC(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.58
▸ SIGMAR1 Q99720 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ NPY2R P49146 2/20 0.36
▸ SLC22A1 O15245 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL7043326 1.00 CACNA1B (0.58) CACNA1BSIGMAR1OPRM1NPY2RSLC22A1
SCHEMBL7043332 1.00 CACNA1B (0.58) CACNA1BSIGMAR1OPRM1NPY2RSLC22A1
SCHEMBL7042695 0.94 CACNA1B (0.55) CACNA1BSIGMAR1OPRM1SLC22A1NR1I2
SCHEMBL7042692 0.94 CACNA1B (0.55) CACNA1BSIGMAR1OPRM1SLC22A1NR1I2
SCHEMBL7040159 0.91 CACNA1B (0.49) CACNA1BSIGMAR1CHRM3KCNH2
SCHEMBL7043263 0.91 CACNA1B (0.49) CACNA1BOPRM1SLC6A3KCNH2
SCHEMBL7040166 0.91 CACNA1B (0.49) CACNA1BSIGMAR1CHRM3KCNH2
SCHEMBL7043258 0.91 CACNA1B (0.49) CACNA1BOPRM1SLC6A3KCNH2
SCHEMBL7040258 0.91 CACNA1B (0.49) CACNA1BSIGMAR1CHRM3KCNH2
SCHEMBL7042991 0.89 CACNA1B (0.53) 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 2/4885SIGMAR1 2760/4885OPRM1 1578/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885SIGMAR1 2760/4885OPRM1 1578/4885

“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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