Sugi Predict

Sugi Predict / Compounds / SCHEMBL308499

SCHEMBL308499

SCHEMBL308499

CCn1ccc2c(OC)c[c]cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.40
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37
▸ TUBB3 Q13509 2/20 0.37
▸ TUBB2A Q13885 2/20 0.37
▸ TUBB8 Q3ZCM7 2/20 0.37
▸ TUBA3E Q6PEY2 2/20 0.37
▸ TUBA1A Q71U36 2/20 0.37
▸ TUBA1C Q9BQE3 2/20 0.37
▸ TUBB6 Q9BUF5 2/20 0.37
▸ TUBB2B Q9BVA1 2/20 0.37
▸ TUBB1 Q9H4B7 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL309730 0.83 HTR2C (0.38) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL308399 0.80 IDO1 (0.33) —
SCHEMBL308890 0.78 HTR2C (0.33) HTR2CDBH
SCHEMBL308174 0.76 HTR2C (0.33) HTR2CHTR6
SCHEMBL13228252 0.76 HTR2C (0.65) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1163491 0.72 TUBB4A (0.39) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL308517 0.71 MPO (0.30) —
SCHEMBL308897 0.71 PIP4K2A (0.36) HTR2CALDH1A1
SCHEMBL733368 0.71 FGFR1 (0.40) KMT2AALDH1A1HTR6
SCHEMBL307944 0.70 GAA (0.34) KDM4EMEN1KMT2AMAPTDBH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 — — EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 — — US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 — — EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 — — WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 — — 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 HTR2C 758/4885TUBB4A 1613/4885TUBB 1135/4885

“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.