Sugi Predict

Sugi Predict / Compounds / SCHEMBL4871362

SCHEMBL4871362

SCHEMBL4871362

Cc1ccc([C@@H]2CCC[C@@H](c3ccc(C)cc3)N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ GID4 Q8IVV7 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL4870454 1.00 MAPT (0.39) MAPTATMNPSR1GFERGID4
Hydrochloric Acid SCHEMBL4912494 0.98 MAPT (0.38) MAPTATMNPSR1GFERGID4
SCHEMBL12232396 0.91 MAPT (0.42) MAPTATMNPSR1GFERGID4
SCHEMBL165154 0.78 MKNK1 (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7992297 0.78 MKNK1 (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23891619 0.78 MAPT (0.41) MAPTATMNPSR1GFERACHE
SCHEMBL6179719 0.78 MKNK1 (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12436995 0.78 TSHR (0.56) MAPTATMNPSR1GFERACHE
SCHEMBL10147111 0.78 HPGD (0.41) MAPTATMNPSR1GFERACHE
SCHEMBL4873782 0.77 HPGD (0.47) NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 — — US disclosed
US-20050209222-A1 Pharmaceutically active compounds and methods of use CAMBRIDGE NEUROSCIENCE, INC. 2005-09-22 — — US disclosed
US-6756389-B2 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. 2004-06-29 — — US disclosed
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH 2003-04-10 — — US disclosed
EP-0959887-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2003-01-08 — — EP disclosed
EP-0959887-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-12-01 — — EP disclosed
WO-1998006401-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-19 — — 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 (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-20050209222-A1 Pharmaceutically active compounds and methods of use ACHE, NLN, PARK7 MAPT 37/4885ATM 2370/4885NPSR1 1668/4885
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE ACHE, NLN, PARK7 MAPT 37/4885ATM 2370/4885NPSR1 1668/4885

“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.