Sugi Predict

Sugi Predict / Compounds / SCHEMBL17735692

SCHEMBL17735692

SCHEMBL17735692

CC(C)[C@H]1CCCCN1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 6/20 0.43
▸ CHRNA3 P32297 6/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37

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
SCHEMBL13416621 1.00 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL7600904 1.00 CHRNB4 (0.43) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL12889418 0.98 CHRNB4 (0.42) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL21398764 0.98 CHRNB4 (0.42) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL20259549 0.98 CHRNB4 (0.42) CHRNB4CHRNA3SLC6A2SLC6A4SLC6A3
SCHEMBL2756894 0.92 — —
SCHEMBL1615410 0.92 — —
SCHEMBL6891743 0.92 — —
SCHEMBL7600258 0.81 — —
SCHEMBL13620950 0.81 — —

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-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 — — US disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 — — US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 — — US disclosed
US-20230000851-A1 ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-01-05 — — US disclosed
WO-2016077260-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
US-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY 2016-05-12 — — 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 (5 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-20230000851-A1 ERAP1 MODULATORS ERAP1, NR1I3, HRH4 CHRNB4 1273/4885CHRNA3 1449/4885SLC6A2 2447/4885
US-20230242519-A1 NOVEL COMPOUNDS PAK4, PAK2, PAK1 CHRNB4 1866/4885CHRNA3 3266/4885SLC6A2 4856/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A CHRNB4 4497/4885CHRNA3 4808/4885SLC6A2 368/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CHRNB4 3148/4885CHRNA3 2529/4885SLC6A2 2635/4885
US-20160130299-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE CCNY, CDC45, TPX2 CHRNB4 1772/4885CHRNA3 2979/4885SLC6A2 3407/4885

“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.