SCHEMBL5082865

SCHEMBL5082865

O=C(Cc1[c]cccc1)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
GRM5 P41594 1/20 0.40
TACR3 P29371 1/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
USP2 O75604 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 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
SCHEMBL3980303 0.85 HSD11B1 (0.40) L3MBTL1ALDH1A1POLBTACR3
SCHEMBL3771066 0.84 POLB (0.49) NPC1RAB9AALDH1A1POLB
SCHEMBL3759997 0.83 POLB (0.48) L3MBTL1NPC1RAB9AALDH1A1POLB
SCHEMBL7427604 0.81 MAPT (0.55) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL3979219 0.74 L3MBTL1 (0.53) L3MBTL1NPC1ALDH1A1KDM4EPOLB
SCHEMBL3988422 0.72 PDK1 (0.42) ALDH1A1POLBTACR3
SCHEMBL14543057 0.71 ALDH1A1 (0.68) L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL6638422 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHDAC3HDAC4
SCHEMBL6642363 0.70 NPC1 (0.59) NPC1RAB9AALDH1A1
SCHEMBL22716929 0.70 RORC (0.41) L3MBTL1KCNA3

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-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 L3MBTL1 4793/4885NPC1 597/4885RAB9A 1324/4885

“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.