SCHEMBL16762007

SCHEMBL16762007

O=Cc1ccc(C2CC2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.45
▸ KIF11 P52732 1/20 0.42
▸ HTR2C P28335 2/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC9A1 P19634 5/20 0.37
▸ RBP4 P02753 2/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SLC9A2 Q9UBY0 1/20 0.37
▸ OPRL1 P41146 3/20 0.37
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL16761882 0.95 KIF11 (0.41) NOTUMKIF11HTR2CPDE3BPDE3A
SCHEMBL1918581 0.93 KIF11 (0.41) NOTUMKIF11HTR2CPDE3BPDE3A
SCHEMBL18671229 0.92 KIF11 (0.40) NOTUMKIF11HTR2CSLC9A1
SCHEMBL16762069 0.86 KIF11 (0.46) NOTUMKIF11HTR2CRBP4
SCHEMBL16957471 0.83 NOTUM (0.44) NOTUMHTR2CPDE3BPDE3ASLC9A1
SCHEMBL16962941 0.83 NOTUM (0.44) NOTUMHTR2CPDE3BPDE3ASLC9A1
SCHEMBL16761710 0.81 KIF11 (0.45) NOTUMKIF11HTR2CRBP4HTR2A
SCHEMBL25388637 0.77 NOTUM (0.43) NOTUMHTR2CPDE3BPDE3AOPRL1
SCHEMBL3586405 0.77 ALDH1A1 (0.46) KIF11OPRL1
SCHEMBL472408 0.75 KIF11 (0.56) KIF11

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
CN-104507910-B Partially saturated nitrogen-containing heterocyclic compound 大正制药株式会社 2016-06-15 — — CN 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
CN-104507910-A Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO LTD 2015-04-08 — — CN 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 NOTUM 768/4885KIF11 4550/4885HTR2C 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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