SCHEMBL2000040

SCHEMBL2000040

CC1c2c(ccc3[nH]ccc23)OCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.40
ATR Q13535 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
P2RX7 Q99572 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
MAPK14 Q16539 1/20 0.30
GOT1 P17174 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1999535 0.84 CREBBP (0.36) CREBBPP2RX7
Indole SCHEMBL4409752 0.79 IDO1 (0.36) CREBBPATRKDM4E
SCHEMBL2001697 0.78 PRKAB2 (0.33) P2RX7HTR1ALMNA
SCHEMBL2002050 0.71 CREBBP (0.46) CREBBPATRMAPK14GOT1KDM4E
SCHEMBL6876166 0.70 HTR1A (0.33) CREBBPP2RX7HPGDHTR1ADRD2
SCHEMBL1996281 0.67 CREBBP (0.40) CREBBPKDM4E
SCHEMBL17957809 0.67 HCRTR2 (0.43) SMN1; SMN2HPGDTSHRKDM4ENPC1
SCHEMBL17957807 0.67 HCRTR2 (0.43) SMN1; SMN2HPGDTSHRKDM4ENPC1
SCHEMBL17957863 0.67 HCRTR2 (0.47) SMN1; SMN2HPGDTSHRDRD2LMNA
SCHEMBL17957849 0.64 MEN1 (0.42) SMN1; SMN2HPGDTSHRKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A CREBBP 2723/4885ATR 4642/4885HTR3E 12/4885

“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.