SCHEMBL2844916

SCHEMBL2844916

O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.49
KCNH2 Q12809 2/20 0.46
S1PR5 Q9H228 2/20 0.42
S1PR1 P21453 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
NR1I2 O75469 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2846617 1.00 CACNA1B (0.49) CACNA1BKCNH2S1PR5S1PR1GRK5
SCHEMBL2844918 1.00 CACNA1B (0.49) CACNA1BKCNH2S1PR5S1PR1GRK5
SCHEMBL65958 0.95 CACNA1B (0.51) CACNA1BKCNH2NR1I2ALDH1A1
SCHEMBL65957 0.95 CACNA1B (0.51) CACNA1BKCNH2NR1I2ALDH1A1
SCHEMBL66133 0.87 CACNA1B (0.48) CACNA1BKCNH2S1PR5S1PR1GRK5
SCHEMBL16497920 0.87 CACNA1B (0.48) CACNA1BKCNH2S1PR5S1PR1GRK5
SCHEMBL87696 0.85 CACNA1B (0.45) CACNA1BKCNH2NPSR1LMNA
SCHEMBL2844883 0.83 CACNA1B (0.46) CACNA1BNR1I2LMNA
SCHEMBL2844882 0.83 CACNA1B (0.46) CACNA1BNR1I2LMNA
SCHEMBL3485073 0.82 CACNA1B (0.70) CACNA1BNR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 (1 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885S1PR5 720/4885

“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.