SCHEMBL506963

SCHEMBL506963

O=C(N1CCc2cccc(O)c2CC1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 6/20 0.50
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
ABHD6 Q9BV23 5/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
ACKR3 P25106 1/20 0.42
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL25604192 0.90 ESR1 (0.56) ESR1ESR2BCL2L1BADABHD6
SCHEMBL8177222 0.90 ESR1 (0.56) ESR1ESR2BCL2L1BADABHD6
SCHEMBL6098283 0.84 ESR1 (0.46) ESR1ESR2ABHD6ACKR3AKR1C3
SCHEMBL506139 0.82 ESR1 (0.59) ESR1ESR2ABHD6
SCHEMBL19582436 0.81 ESR1 (0.50) ESR1ESR2BCL2L1BADABHD6
SCHEMBL14115778 0.80 ABHD6 (0.62) ESR1ESR2ABHD6ACKR3
SCHEMBL506664 0.80 ABHD6 (0.63) ESR1ESR2ABHD6DRD2DRD1
SCHEMBL6097008 0.79 HPGD (0.48) ESR1ESR2ABHD6AKR1C3AKR1C1
SCHEMBL506173 0.79 DRD2 (0.45) ESR1ESR2ABHD6DRD2DRD1
SCHEMBL12296389 0.79 BCL2L1 (0.46) BCL2L1BADABHD6DRD2DRD1

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
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
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-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US 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
US-20060264418-A1 6-(2,2,2-Trifluoroethylamino-7-chloro-2,3,4,5-tetrahydro-1h-benzo[d] azephine as a 5-ht2c receptor agonist ELI LILLY AND COMPANY 2006-11-23 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1656352-A1 6-(2,2,2-TRIFLUOROETHYLAMINO)-7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO d AZEPINE AS A 5-HT sb 2c /sb RECEPTOR AGONIST ELI LILLY AND COMPANY (US) 2006-05-17 EP disclosed
US-7022694-B2 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY (US) 2006-04-04 US disclosed
EP-1406902-B1 HEXAHYDROAZEPINO[4,5-G]INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-10-19 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
WO-2005019180-A1 6-(2,2,2-TRIFLUOROETHYLAMINO)-7-CHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINE AS A 5-HT2c RECEPTOR AGONIST ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
EP-1406902-A1 HEXAHYDROAZEPINO(4,5-G)INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030060458-A1 Indoles and indolines having 5-HT activity PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003006466-A1 HEXAHYDROAZEPINO (4, 5-G) INDOLES AND INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 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 (4 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 ESR1 196/4885ESR2 205/4885BCL2L1 1662/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ESR1 215/4885ESR2 302/4885BCL2L1 1979/4885
US-20060264418-A1 6-(2,2,2-Trifluoroethylamino-7-chloro-2,3,4,5-tetrahydro-1h-benzo[d] azephine as a 5-ht2c receptor agonist HTR2C, HTR2A, HTR5A ESR1 662/4885ESR2 390/4885BCL2L1 2887/4885
US-20030060458-A1 Indoles and indolines having 5-HT activity TPH1, HTR5A, TPH2 ESR1 2783/4885ESR2 1656/4885BCL2L1 2178/4885

“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.