SCHEMBL22481965

SCHEMBL22481965

c1ccc(CN2CCc3cc[nH]c3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
ACHE P22303 4/20 0.49
SIGMAR1 Q99720 4/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD4 P21917 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MC4R P32245 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL19643991 0.88 ACHE (0.52) PNMTSLC6A5ACHESIGMAR1ADRA2A
SCHEMBL12973465 0.80 PNMT (0.57) PNMTSLC6A5ACHE
SCHEMBL3387772 0.78 SLC6A5 (0.58) PNMTSLC6A5ACHESIGMAR1ADRA2A
SCHEMBL1550170 0.77 SLC6A5 (0.56) PNMTSLC6A5ACHESIGMAR1ADRA2A
SCHEMBL26099470 0.77 SLC6A5 (0.56) PNMTSLC6A5ACHEDRD4
SCHEMBL10978742 0.76 ACHE (0.66) PNMTACHESIGMAR1ADRA2AADRA2B
SCHEMBL31134754 0.76 ACHE (0.66) PNMTACHESIGMAR1ADRA2AADRA2B
SCHEMBL17377186 0.76 SLC6A5 (0.49) PNMTSLC6A5ACHESIGMAR1ADRA2A
Hydrochloric Acid SCHEMBL16713363 0.75 ACHE (0.64) PNMTACHESIGMAR1ADRA2AADRA2B
SCHEMBL13896984 0.75 ACHE (0.52) PNMTSLC6A5ACHESIGMAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 PNMT 4589/4885SLC6A5 4753/4885ACHE 4732/4885

“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.