SCHEMBL17606756

SCHEMBL17606756

Fc1cccc(Oc2cc(Br)cc(F)c2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.46
SLC6A4 P31645 12/20 0.46
SLC6A3 Q01959 11/20 0.46
HTR1A P08908 3/20 0.43
VEGFA P15692 1/20 0.40
MAOB P27338 1/20 0.40
CDC7 O00311 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FRK P42685 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38

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
SCHEMBL17609102 0.93 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR1AVEGFA
SCHEMBL23011241 0.84 F10 (0.35) SLC6A2SLC6A4SLC6A3HTR1AF10
SCHEMBL17608977 0.81 MAOB (0.44) SLC6A2SLC6A4SLC6A3HTR1AVEGFA
SCHEMBL23010763 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR1AMAOB
SCHEMBL17623916 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR1AUSP2
SCHEMBL17606721 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1AVEGFA
SCHEMBL30564841 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1AVEGFA
SCHEMBL17609050 0.77 VEGFA (0.46) SLC6A2SLC6A4SLC6A3HTR1AVEGFA
SCHEMBL19317621 0.76 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3HTR1AUSP2
SCHEMBL17606538 0.76 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3HTR1AVEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848577-B N- (hetero) aryl-substituted heterocyclic derivatives useful in the treatment of diseases or conditions associated with the central nervous system 克罗诺斯治疗有限公司 2023-09-01 CN disclosed
EP-3194385-B3 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2021-02-17 EP disclosed
EP-3194385-B3 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2021-02-17 EP disclosed
CN-111848577-A N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system 克罗诺斯治疗有限公司 2020-10-30 CN disclosed
CN-107001318-B N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system 克罗诺斯治疗有限公司 2020-08-11 CN disclosed
EP-3194385-B1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2018-06-20 EP disclosed
EP-3194385-B1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM CHRONOS THERAPEUTICS LTD (GB) 2018-06-20 EP disclosed
US-9920053-B2 N-(hetero)aryl-substituted heteroyclic derivatives useful for the treatment of diseases or conditions related to the central nervous system CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-20 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
EP-3194385-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM Chronos Therapeutics Limited (GB) 2017-07-26 EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042453-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042453-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 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 (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-20170253592-A1 N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM SLC6A3, SLC6A2, SLC6A19 SLC6A2 2/4885SLC6A4 12/4885SLC6A3 1/4885
US-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 SLC6A2 4/4885SLC6A4 17/4885SLC6A3 1/4885

“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.