Sugi Predict

Sugi Predict / Compounds / SCHEMBL984536

SCHEMBL984536

SCHEMBL984536

c1ccc(CC2(c3ccc4[nH]ccc4c3)CCNC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 20/20 1.00
▸ SLC6A4 P31645 20/20 1.00
▸ SLC6A3 Q01959 20/20 1.00
▸ CYP2D6 P10635 18/20 1.00
▸ KCNH2 Q12809 6/20 0.70

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
5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982203 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982202 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
5-(3-Benzylpyrrolidin-3-Yl)-1H-Indole (Structural Mix) SCHEMBL982204 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL982219 0.79 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL985148 0.78 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL980402 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL984468 0.77 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL982062 0.76 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12454976 0.76 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13679467 0.76 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 — — US claimed
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 — — EP disclosed
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 — — EP disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 — — US disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 — — US disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 — — US disclosed
EP-2257545-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
WO-2009115427-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 — — WO disclosed
WO-2009115427-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 — — WO 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-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 SLC6A2 6/4885SLC6A4 8/4885SLC6A3 1/4885

“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.