Sugi Predict

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SCHEMBL508081

SCHEMBL508081

CN(C(=O)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1F)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ F2 P00734 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ HSD11B2 P80365 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ SSTR3 P32745 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10230561 0.84 NPC1 (0.43) PARP1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL10274962 0.84 NPC1 (0.43) PARP1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL10277957 0.84 NPC1 (0.43) PARP1HPGDTSHRSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL10476178 0.83 WDR5 (0.35) PARP1WDR5
SCHEMBL2578306 0.83 MEN1 (0.40) TSHRSMN1; SMN2ALDH1A1HSD11B1HSD11B2
SCHEMBL508082 0.82 NPC1 (0.48) MEN1KMT2ARAB9ANPC1WDR5
SCHEMBL508782 0.82 WDR5 (0.38) WDR5
SCHEMBL508106 0.81 HTR2A (0.38) PARP1HPGDTSHRWDR5
SCHEMBL508599 0.81 HTR2A (0.36) WDR5
SCHEMBL507606 0.81 WDR5 (0.37) HPGDSMN1; SMN2WDR5

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
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 — — EP disclosed
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
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 — — EP 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-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 PARP1 3123/4885HPGD 3805/4885TSHR 170/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PARP1 2843/4885HPGD 3744/4885TSHR 143/4885

“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.