SCHEMBL29992005

SCHEMBL29992005

NC1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.79
RB1 P06400 7/20 0.60
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
KDM4E B2RXH2 2/20 0.51
HTR5A P47898 1/20 0.51
NISCH Q9Y2I1 1/20 0.51
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
HTR6 P50406 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
HTR1B P28222 2/20 0.47
HTR1D P28221 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL29991655 1.00 NR2E1 (0.79) NR2E1RB1HTR2AHTR2CKDM4E
SCHEMBL6533665 1.00 NR2E1 (0.79) NR2E1RB1HTR2AHTR2CKDM4E
SCHEMBL4905673 1.00 NR2E1 (0.79) NR2E1RB1HTR2AHTR2CKDM4E
Hydrochloric Acid SCHEMBL11283863 0.98 NR2E1 (0.77) NR2E1RB1HTR2AHTR2CKDM4E
SCHEMBL700531 0.88 NR2E1 (1.00) NR2E1RB1HTR2AHTR2CHTR6
SCHEMBL834930 0.88 NR2E1 (1.00) NR2E1RB1HTR2AHTR2CHTR6
SCHEMBL29670383 0.88 NR2E1 (1.00) NR2E1RB1HTR2AHTR2CHTR6
SCHEMBL833503 0.88 NR2E1 (1.00) NR2E1RB1HTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL7412638 0.87 NR2E1 (0.97) NR2E1RB1HTR2AHTR2CHTR6
SCHEMBL21754369 0.84 NR2E1 (0.75) NR2E1RB1HTR2AHTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 NR2E1 3383/4885RB1 3803/4885HTR2A 2280/4885

“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.