SCHEMBL2844882

SCHEMBL2844882

O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCC2CN(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.46
NR1I2 O75469 3/20 0.43
CYP3A4 P08684 1/20 0.43
CCR5 P51681 2/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL2844883 1.00 CACNA1B (0.46) CACNA1BNR1I2CYP3A4CCR5LMNA
SCHEMBL2851102 0.93 CACNA1B (0.44) CACNA1BNR1I2CYP3A4LMNAGAA
SCHEMBL2851104 0.93 CACNA1B (0.44) CACNA1BNR1I2CYP3A4LMNAGAA
SCHEMBL2844916 0.83 CACNA1B (0.49) CACNA1BNR1I2LMNA
SCHEMBL2844918 0.83 CACNA1B (0.49) CACNA1BNR1I2LMNA
SCHEMBL2846617 0.83 CACNA1B (0.49) CACNA1BNR1I2LMNA
SCHEMBL65958 0.82 CACNA1B (0.51) CACNA1BNR1I2GAA
SCHEMBL65957 0.82 CACNA1B (0.51) CACNA1BNR1I2GAA
SCHEMBL16497847 0.81 CACNA1B (0.46) CACNA1BCCR5
SCHEMBL67771 0.81 CACNA1B (0.46) CACNA1BCCR5

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 5/4885NR1I2 1953/4885CYP3A4 1006/4885

“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.