Sugi Predict

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SCHEMBL10274906

SCHEMBL10274906

CCC(C)NC(=O)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ WDR5 P61964 4/20 0.36
▸ ADRA1A P35348 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ POLB P06746 2/20 0.31

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
Succinic Acid SCHEMBL508565 0.96 TYMS (0.35) ALDH1A1WDR5ADRA1AHTR2AHTR2C
SCHEMBL10277924 0.92 WDR5 (0.35) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL10230565 0.92 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507606 0.92 WDR5 (0.37) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL10230571 0.90 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507020 0.90 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507021 0.90 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL10230559 0.89 WDR5 (0.35) WDR5HTR2AHTR2CHTR2BEPHX2
Succinic Acid SCHEMBL507233 0.88 TYMS (0.35) WDR5HTR2AHTR2CHTR2BEPHX2
Succinic Acid SCHEMBL508076 0.88 TYMS (0.36) WDR5HTR2AHTR2CHTR2BEPHX2

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
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ALDH1A1 866/4885WDR5 443/4885ADRA1A 139/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ALDH1A1 500/4885WDR5 815/4885ADRA1A 106/4885

“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.