SCHEMBL24437201

SCHEMBL24437201

O=C(Nc1ccn(CC2CC2)n1)c1c(F)cncc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.47
▸ ORAI1 Q96D31 3/20 0.47
▸ ORAI3 Q9BRQ5 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CACNA1G O43497 4/20 0.39
▸ CACNA1H O95180 4/20 0.39
▸ CACNA1I Q9P0X4 4/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CCNA2 P20248 1/20 0.37

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
SCHEMBL24437210 0.89 STIM1 (0.58) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL24437207 0.85 CRACR2A (0.45) STIM1ORAI1SMN1; SMN2LMNATSHR
SCHEMBL24437265 0.78 RAB9A (0.39) SMN1; SMN2TSHRNPC1RAB9AALDH1A1
SCHEMBL24437383 0.75 NPSR1 (0.42) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL24437269 0.74 HIF1A (0.42) SMN1; SMN2TSHRNPC1RAB9AKMT2A
SCHEMBL760185 0.74 STIM1 (0.62) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL755366 0.73 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL30096622 0.73 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758440 0.71 SMN1; SMN2 (0.49) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL757562 0.70 STIM1 (0.67) STIM1ORAI1ORAI3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — 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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 STIM1 4/4885ORAI1 2/4885ORAI3 3/4885

“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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