SCHEMBL24624328

SCHEMBL24624328

COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.43
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CYP11B1 P15538 1/20 0.39
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
RET P07949 1/20 0.37
CSF1R P07333 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 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
SCHEMBL22796161 1.00 TRPV6 (0.43) TRPV6JAK2JAK1JAK3CHRNB2
Hydrochloric Acid SCHEMBL29597371 0.99 TRPV6 (0.42) TRPV6JAK2JAK1JAK3CHRNB2
SCHEMBL20069900 0.82 CYP11B1 (0.43) TRPV6JAK2JAK1JAK3CHRNB2
SCHEMBL20069899 0.82 CYP11B1 (0.43) TRPV6JAK2JAK1JAK3CHRNB2
SCHEMBL22666989 0.81 CHRNB2 (0.46) TRPV6CHRNB2CHRNA4CYP11B1CHRNB4
SCHEMBL25220183 0.78 TRPV6 (0.42) TRPV6CHRNB2CHRNA4CYP11B1CHRNB4
Hydrochloric Acid SCHEMBL25216416 0.77 TRPV6 (0.42) TRPV6JAK2JAK1JAK3CHRNB2
SCHEMBL29596824 0.76 RET (0.41) TRPV6RET
Oxalic Acid SCHEMBL30757512 0.75 RET (0.44) TRPV6CHRNB2CHRNA4CYP11B1KDM1A
SCHEMBL20070737 0.73 TRPV6 (0.50) TRPV6CHRNB2CHRNA4CYP11B1CHRNB4

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-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2022-07-14 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-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF RET, BRAF, ROR1 TRPV6 3191/4885JAK2 27/4885JAK1 111/4885

“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.