SCHEMBL24437383

SCHEMBL24437383

Cc1cnccc1C(=O)Nc1ccn(CC2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.42
▸ KDM4C Q9H3R0 2/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NR3C1 P04150 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 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
SCHEMBL24437207 0.86 CRACR2A (0.45) NPSR1KDM4CSMN1; SMN2LMNATSHR
SCHEMBL24437152 0.78 NPC1 (0.44) KDM4CGSK3ASMN1; SMN2TSHROPRM1
SCHEMBL24437379 0.78 KDM4C (0.40) KDM4CGSK3ALMNAOPRM1OPRD1
SCHEMBL24437201 0.75 STIM1 (0.47) NPSR1SMN1; SMN2LMNATSHRHTT
SCHEMBL758185 0.75 STIM1 (0.49) NPSR1SMN1; SMN2LMNATSHRHTT
Hydrochloric Acid SCHEMBL756068 0.75 STIM1 (0.48) NPSR1SMN1; SMN2LMNATSHRHTT
SCHEMBL758607 0.72 STIM1 (0.65) NPSR1SMN1; SMN2LMNATSHRHTT
SCHEMBL757810 0.72 NPSR1 (0.51) NPSR1KDM4CSMN1; SMN2LMNATSHR
SCHEMBL759772 0.72 STIM1 (0.52) NPSR1SMN1; SMN2LMNATSHRHTT
SCHEMBL705896 0.72 STIM1 (0.52) NPSR1SMN1; SMN2LMNATSHRHTT

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 NPSR1 1530/4885KDM4C 3959/4885GSK3A 3008/4885

“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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