SCHEMBL27092020

SCHEMBL27092020

O=CC1CC(n2ccc(C3CC3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR2 O43614 1/20 0.30

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
SCHEMBL28949648 0.79 NPC1 (0.42) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL31389482 0.78 NPC1 (0.37) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL24291983 0.78 JAK2 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL24290451 0.75 FAAH (0.41) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL24290453 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL31289211 0.72 DDB1 (0.43) NPC1RAB9ASMN1; SMN2MGLLALDH1A1
SCHEMBL24289502 0.72 FAAH (0.38) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL24289998 0.70 NPC1 (0.35) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL24289510 0.68 NPC1 (0.33) NPC1RAB9ASMN1; SMN2FAAHMGLL
SCHEMBL30945257 0.67 NPC1 (0.34) NPC1RAB9ASMN1; SMN2FAAHMGLL

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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL NPC1 716/4885RAB9A 2065/4885SMN1; SMN2 2527/4885

“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.