Sugi Predict

Sugi Predict / Compounds / SCHEMBL6301536

SCHEMBL6301536

SCHEMBL6301536

O=c1[nH]ccc2c1Nc1ccc(Cl)cc1C2(CCC1CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 6/20 0.42
▸ NR1I2 O75469 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1152499 0.88 MAPT (0.34) MAPTKMT2ATP53
SCHEMBL1152904 0.86 CYP46A1 (0.41) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1153126 0.85 CYP46A1 (0.37) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1152011 0.85 CYP46A1 (0.40) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1153321 0.84 CYP46A1 (0.40) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1153436 0.83 CYP46A1 (0.40) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL5399188 0.83 CYP46A1 (0.41) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1152534 0.83 CYP46A1 (0.39) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1152492 0.83 CYP46A1 (0.37) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1152260 0.83 ELOVL6 (0.38) CYP46A1NR1I2NR3C1PGRADRB1

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
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors RODGERS JAMES D (US) 2004-02-05 — — US claimed
US-6969721-B2 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors BRISTOL-MYERS SQUIBB PHARMA (US) 2005-11-29 — — US disclosed
US-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors RODGERS JAMES D (US) 2004-02-05 — — US disclosed
US-6596729-B2 Especially in combination with one or more HIV reverse transcriptase inhibitors, HIV protease inhibitors, fusion inhibitors, and/or CCR-5 BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 — — US disclosed
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2002-08-08 — — 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-20040023955-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CYP46A1 1013/4885NR1I2 1186/4885NR3C1 1896/4885
US-20020107261-A1 Tricyclic-2-pyridone compounds useful as HIV reverse transcriptase inhibitors TYMP, POLRMT, DPYD CYP46A1 1013/4885NR1I2 1186/4885NR3C1 1896/4885

“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.