SCHEMBL17134703

SCHEMBL17134703

COC1(c2ccc(F)cc2)CCN(C(=O)c2cnc(S(N)(=O)=O)c(Cl)c2NC2(c3ccccc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ HDAC3 O15379 5/20 0.37
▸ HDAC1 Q13547 5/20 0.37
▸ HDAC2 Q92769 5/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.37
▸ SPR P35270 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ OPRD1 P41143 3/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ OPRK1 P41145 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL17134873 0.84 CA12 (0.40) HDAC3HDAC1HDAC2HDAC6SPR
SCHEMBL17134786 0.83 CNR2 (0.39) DRD2SMN1; SMN2CA2
SCHEMBL17135113 0.82 MAPT (0.37) SCD5DRD2ALDH1A1SMN1; SMN2CA2
SCHEMBL17134971 0.82 SCD (0.36) SCD5HDAC3HDAC1HDAC2HDAC6
SCHEMBL17134972 0.81 SPR (0.38) SCD5DRD2SPRALDH1A1OPRD1
SCHEMBL17135098 0.81 DRD2 (0.38) SCD5DRD2SPRALDH1A1SMN1; SMN2
SCHEMBL17134918 0.80 P2RX7 (0.49) KCNH2
SCHEMBL17134913 0.79 SCD5 (0.37) SCD5SPRSMN1; SMN2
SCHEMBL17184284 0.79 CA12 (0.45) SPRALDH1A1CA12CA1CA2
SCHEMBL17134826 0.77 VNN1 (0.43) HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 — — EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 — — US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 — — US disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 — — 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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR SCD5 4826/4885DRD2 2610/4885HDAC3 126/4885

“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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