SCHEMBL12241303

SCHEMBL12241303

O=C(Nc1ccc(-c2c(C(F)(F)F)oc3c2CCCC3)cn1)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 8/20 0.44
▸ HCRTR1 O43613 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GFER P55789 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ STIM1 Q13586 1/20 0.36
▸ ORAI1 Q96D31 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
SCHEMBL12156179 0.98 IL2 (0.44) IL2HCRTR1ALDH1A1GFERMEN1
SCHEMBL16572586 0.92 IL2 (0.39) IL2HCRTR1ALDH1A1GFERSCN9A
SCHEMBL12156194 0.90 IL2 (0.39) IL2HCRTR1ALDH1A1MAPTNPSR1
SCHEMBL12155977 0.89 NPC1 (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL12156180 0.87 NPC1 (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL12241306 0.87 IL2 (0.45) IL2HCRTR1ALDH1A1GFERMEN1
SCHEMBL12241310 0.86 IL2 (0.50) IL2ALDH1A1GFERMEN1KMT2A
SCHEMBL12156185 0.85 IL2 (0.45) IL2HCRTR1MEN1KMT2ASTIM1
SCHEMBL12280281 0.84 IL2 (0.44) IL2HCRTR1ALDH1A1GFERMEN1
SCHEMBL12241315 0.84 IL2 (0.50) IL2ALDH1A1GFERMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (4 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885HCRTR1 1538/4885ALDH1A1 4409/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885HCRTR1 1538/4885ALDH1A1 4409/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885HCRTR1 1538/4885ALDH1A1 4409/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885HCRTR1 1538/4885ALDH1A1 4409/4885

“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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