SCHEMBL25091032

SCHEMBL25091032

C[C@H]1CC[C@H](Nc2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.52
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 1/20 0.42
GPR39 O43194 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL20024991 1.00 NOS2 (0.52) NOS2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL26291255 1.00 NOS2 (0.52) NOS2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL31690862 1.00 NOS2 (0.52) NOS2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL526424 0.91 NOS2 (0.55) NOS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL25492838 0.90 NOS2 (0.47) NOS2RAB9ALMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1919379 0.89 NOS2 (0.54) NOS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL24241831 0.84 NOS2 (0.47) NOS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL16548498 0.83 ALDH1A1 (0.58) NOS2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7919601 0.83 ALDH1A1 (0.54) NOS2RAB9ALMNASMN1; SMN2NPC1
SCHEMBL17730325 0.82 MERTK (0.55) NOS2RAB9ASMN1; SMN2NPC1ALDH1A1

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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK NOS2 3764/4885RAB9A 2410/4885LMNA 1299/4885

“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.