SCHEMBL17766348

SCHEMBL17766348

Cn1c(=O)oc2c(C3CC3)c(-c3ccc(C(=O)Nc4c(F)cccc4F)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 3/20 0.40
▸ PDE4D Q08499 3/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ F10 P00742 1/20 0.35
▸ IL2 P60568 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ STIM1 Q13586 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL16362417 0.85 IL2 (0.50) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL16362421 0.82 MEN1 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16362399 0.81 IL2 (0.53) IL2TNFSTIM1ORAI1NPC1
SCHEMBL17766345 0.81 CRACR2A (0.42) CRACR2APDE4DPDE4APDE4BPDE4C
SCHEMBL16362393 0.80 IL2 (0.45) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL17766372 0.79 MAPT (0.42) KDM1AIL2TNFSTIM1ORAI1
SCHEMBL17766359 0.78 CCNT1 (0.35) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL16362086 0.75 IL2 (0.46) PDE4DHDAC1ALDH1A1IL2TNF
SCHEMBL17766391 0.75 IL2 (0.45) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL16362098 0.75 SMO (0.44) PKMRAB9AMAPTL3MBTL1

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
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US claimed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US claimed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US 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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E CRACR2A 34/4885PDE4D 1323/4885PDE4A 1260/4885

“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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