SCHEMBL17623919

SCHEMBL17623919

Cc1cc(F)cc(Oc2cccc(F)c2)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 8/20 0.45
SLC6A3 Q01959 7/20 0.45
F10 P00742 3/20 0.43
HTR1A P08908 3/20 0.41
ACHE P22303 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL17624247 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL17606721 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL30564841 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL19322498 0.79 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL19317592 0.79 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL13680419 0.79 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3HTR1AACHE
SCHEMBL6289773 0.78 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL17623916 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL17623914 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3F10HTR1A
SCHEMBL6293812 0.77 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3F10HTR1A

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-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-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-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
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

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.