Sugi Predict

Sugi Predict / Compounds / SCHEMBL67422

SCHEMBL67422

SCHEMBL67422

CCC[C@@H](C(N)=O)N(C)[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Cl)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ HSD11B1 P28845 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TRPV4 Q9HBA0 3/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CACNA1B Q00975 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 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
SCHEMBL65454 0.89 CACNA1B (0.42) TRPV4CACNA1B
SCHEMBL65654 0.85 CACNA1B (0.44) CYP2C19CACNA1BTP53KMT2AMAPT
SCHEMBL66689 0.84 MEN1 (0.43) SMN1; SMN2AKR1C3LMNACACNA1BKMT2A
SCHEMBL67148 0.84 CHRM1 (0.40) AKR1C3LMNAPKMCACNA1BKMT2A
SCHEMBL67419 0.84 MEN1 (0.43) SMN1; SMN2LMNACACNA1BKMT2AATM
SCHEMBL67478 0.83 HPGD (0.40) SMN1; SMN2LMNACACNA1BKMT2A
SCHEMBL67080 0.80 CACNA1B (0.46) TRPV4CACNA1B
SCHEMBL66035 0.80 CACNA1B (0.45) LMNACYP2C19CACNA1BTP53KMT2A
SCHEMBL66907 0.78 CACNA1B (0.47) HSD11B1CACNA1BKMT2A
SCHEMBL66098 0.78 CACNA1B (0.45) RAB9ATRPV4CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 — — US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 — — US claimed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 — — US claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 — — US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 — — US 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 (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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S EPHX2 1564/4885CTSL 1186/4885CTSB 1411/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S EPHX2 1564/4885CTSL 1186/4885CTSB 1411/4885

“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.