SCHEMBL21733703

SCHEMBL21733703

O=C1CCCC(c2cncc3ccccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
MTNR1A P48039 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CYP1B1 Q16678 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL30834543 1.00 IKBKB (0.38) IKBKBCNR1CNR2MAPTCYP11B1
SCHEMBL17996703 0.82 MTNR1A (0.53) IKBKBMAPTMTNR1ACYP1B1CYP2D6
SCHEMBL28442398 0.81 TDP1 (0.41) CNR1CNR2CYP11B1CYP11B2
Cyclohexane SCHEMBL22288135 0.80 TDP1 (0.44) CNR1CNR2CYP11B1CYP11B2
SCHEMBL11665783 0.80 TDP1 (0.44) CNR1CNR2CYP11B1CYP11B2
SCHEMBL13728399 0.78 CYP11B2 (0.42) CNR1CNR2CYP11B1CYP11B2HTR1A
SCHEMBL26268797 0.76 IKBKB (0.42) IKBKBMAPTMTNR1ACYP1B1PDE10A
SCHEMBL21733901 0.73 PDE10A (0.42) IKBKBMAPTMTNR1APDE10A
SCHEMBL30834552 0.73 PDE10A (0.42) IKBKBMAPTMTNR1APDE10A
SCHEMBL9328857 0.72 CYP11B1 (0.37) CNR1CNR2MAPTCYP11B1CYP11B2

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
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS IKBKB 556/4885CNR1 3943/4885CNR2 4092/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS IKBKB 556/4885CNR1 3943/4885CNR2 4092/4885

“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.