SCHEMBL7040550

SCHEMBL7040550

CC(C)CCN(c1ccc(CCc2ccccc2)cc1)[C@H]1CCN(CC(N)CC(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.42
▸ OPRM1 P35372 4/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ OPRD1 P41143 3/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ 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

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
SCHEMBL7040547 1.00 CACNA1B (0.42) CACNA1BOPRM1KMT2AMEN1RAB9A
SCHEMBL7045395 0.95 CACNA1B (0.44) CACNA1BOPRM1KMT2AMEN1RAB9A
SCHEMBL7041226 0.95 CACNA1B (0.44) CACNA1BOPRM1KMT2AMEN1RAB9A
SCHEMBL7041231 0.95 CACNA1B (0.44) CACNA1BOPRM1KMT2AMEN1RAB9A
SCHEMBL7037867 0.94 CACNA1B (0.41) CACNA1B
SCHEMBL7037864 0.94 CACNA1B (0.41) CACNA1B
SCHEMBL7041149 0.91 CHIT1 (0.38) CACNA1BKCNH2
SCHEMBL7045064 0.91 TSHR (0.39) CACNA1BOPRM1
SCHEMBL7041152 0.91 CHIT1 (0.38) CACNA1BKCNH2
SCHEMBL7045060 0.91 TSHR (0.39) CACNA1BOPRM1

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 2/4885OPRM1 1578/4885KMT2A 4017/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885OPRM1 1578/4885KMT2A 4017/4885

“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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