SCHEMBL7045060

SCHEMBL7045060

CC(C)CCN(c1ccc(CCc2ccc(F)cc2)cc1)C1CCN(CC(N)CC(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ CACNA1B Q00975 9/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HTR2A P28223 2/20 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
SCHEMBL7045064 1.00 TSHR (0.39) TSHRCACNA1BHRH3CCR5GPR88
SCHEMBL7043020 0.95 CACNA1B (0.41) TSHRCACNA1BHRH3GPR88OPRM1
SCHEMBL7043015 0.95 CACNA1B (0.41) TSHRCACNA1BHRH3GPR88OPRM1
SCHEMBL7043269 0.95 CACNA1B (0.41) TSHRCACNA1BHRH3GPR88OPRM1
SCHEMBL7043580 0.94 CACNA1B (0.37) TSHRCACNA1BGPR88
SCHEMBL7043582 0.94 CACNA1B (0.37) TSHRCACNA1BGPR88
SCHEMBL7040547 0.91 CACNA1B (0.42) CACNA1BOPRM1
SCHEMBL7040550 0.91 CACNA1B (0.42) CACNA1BOPRM1
SCHEMBL7041149 0.90 CHIT1 (0.38) CACNA1BCCR5GPR88
SCHEMBL7041152 0.90 CHIT1 (0.38) 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 TSHR 3837/4885CACNA1B 2/4885HRH3 2536/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G TSHR 3837/4885CACNA1B 2/4885HRH3 2536/4885

“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.

Send feedback