SCHEMBL2845504

SCHEMBL2845504

O=C(NC1CCC2CN(Cc3cccc(C(F)(F)F)c3)CC21)C1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.75
KCNH2 Q12809 2/20 0.75
ACKR3 P25106 7/20 0.51
SIGMAR1 Q99720 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR5 Q9H228 2/20 0.48
GRK5 P34947 1/20 0.48
CDK8 P49336 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2845543 1.00 CACNA1B (0.75) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL2845542 1.00 CACNA1B (0.75) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL2845507 1.00 CACNA1B (0.75) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL2845395 0.99 CACNA1B (0.74) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL2845391 0.99 CACNA1B (0.74) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL65951 0.86 CACNA1B (1.00) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL67278 0.86 CACNA1B (1.00) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL66902 0.86 CACNA1B (1.00) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL66974 0.86 CACNA1B (1.00) CACNA1BKCNH2ACKR3SIGMAR1S1PR1
SCHEMBL16498056 0.86 CACNA1B (0.72) CACNA1BKCNH2SIGMAR1S1PR1S1PR5

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 2 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
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 24/4885ACKR3 2732/4885

“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.