SCHEMBL3874258

SCHEMBL3874258

Nc1ccc2[nH]c3c(c2c1)CCN(CC(F)(F)F)C3

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
GRIN2B Q13224 1/20 0.43
DHFR P00374 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
GAA P10253 1/20 0.41
RCE1 Q9Y256 1/20 0.41
HTR1A P08908 1/20 0.41
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL3886166 0.83 BAZ2B (0.52) BAZ2BGRIN2BSIGMAR1MEN1KMT2A
SCHEMBL3876357 0.81 HTR1A (0.56) BAZ2BGRIN2BSIGMAR1HTR1A
SCHEMBL3874692 0.80 MAPT (0.56) BAZ2BGRIN2BMEN1KMT2ATRPV1
SCHEMBL3880081 0.76 KDM4E (0.64) BAZ2BMEN1KMT2AGAA
SCHEMBL168487 0.75 ACHE (0.70) BAZ2BGRIN2BMEN1KMT2AATM
SCHEMBL3883560 0.75 BAZ2B (0.54) BAZ2BGRIN2BGAATRPV1
SCHEMBL930105 0.75 GRIN2B (0.51) BAZ2BGRIN2BSIGMAR1HTR1A
Hydrochloric Acid SCHEMBL5782954 0.74 GRIN2B (0.50) BAZ2BGRIN2BSIGMAR1HTR1A
SCHEMBL5539610 0.74 GRIN2B (0.53) BAZ2BGRIN2BSIGMAR1HTR1A
SCHEMBL22213690 0.72 HTR1A (0.60) GRIN2BSIGMAR1MEN1KMT2AATM

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-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP disclosed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
EP-1919475-A1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 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 (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-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands HTR6, HTR5A, HTR1B BAZ2B 4267/4885GRIN2B 154/4885DHFR 445/4885

“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.