SCHEMBL2849638

SCHEMBL2849638

O=C(N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(c1ccccc1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
CACNA1B Q00975 2/20 0.61
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTR1E P28566 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR3 Q99500 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.45
C3AR1 Q16581 2/20 0.45

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
SCHEMBL2844033 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL2847764 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL65548 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL2847765 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL65848 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL16497763 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL2844031 1.00 KCNH2 (0.61) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL16498094 0.98 CACNA1B (0.58) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL67617 0.98 CACNA1B (0.58) KCNH2CACNA1BTP53CYP1A2CYP3A4
SCHEMBL68455 0.96 CACNA1B (0.55) KCNH2CACNA1BTP53CYP1A2CYP3A4

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 KCNH2 24/4885CACNA1B 5/4885TP53 3916/4885

“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.