SCHEMBL16762010

SCHEMBL16762010

FC(F)(F)c1cc(Br)ccc1C1CCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.58
▸ NOTUM Q6P988 3/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ PTGDR Q13258 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ SLC9A1 P19634 2/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SLC9A2 Q9UBY0 1/20 0.35
▸ KDM1B Q8NB78 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ RBP4 P02753 2/20 0.35

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
SCHEMBL1918745 0.96 KDM1A (0.58) KDM1ANOTUMHTR2CPDE3BPDE3A
SCHEMBL15156338 0.95 KDM1A (0.57) KDM1ANOTUMHTR2CPDE3BPDE3A
SCHEMBL28127972 0.93 KDM1A (0.62) KDM1ANOTUMHTR2CPDE3BPDE3A
SCHEMBL28503650 0.82 KDM1A (0.51) KDM1ANOTUMSLC9A1ADRA1DHTR2A
SCHEMBL22083833 0.79 NOTUM (0.48) NOTUMHTR2CPTGDR2SLC9A1ADRA1D
SCHEMBL16761967 0.79 TSHR (0.50) KDM1ANOTUMHTR2CSLC9A1ADRA1D
SCHEMBL22074504 0.78 NOTUM (0.40) KDM1ANOTUMHTR2C
SCHEMBL24633967 0.78 KDM1A (0.49) KDM1ANOTUMHTR2CPTGDRPTGDR2
SCHEMBL16761882 0.76 KIF11 (0.41) NOTUMHTR2CPDE3BPDE3ASLC9A1
SCHEMBL22084408 0.75 SLC9A1 (0.43) NOTUMHTR2CSLC9A1ADRA1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 — — EP 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 KDM1A 49/4885NOTUM 768/4885HTR2C 678/4885

“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.

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