SCHEMBL2676702

SCHEMBL2676702

O=C(C1CCCCCC1)C1CNCCCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SLC6A1 P30531 2/20 0.43
SLC6A11 P48066 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.34
PREP P48147 1/20 0.32
NOS2 P35228 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL2677819 1.00 TSHR (0.43) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL2677615 0.98 SLC6A1 (0.44) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL4730020 0.87 SLC6A1 (0.37) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL8498372 0.78 SLC6A1 (0.36) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL8495169 0.76 SLC6A1 (0.37) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL1158812 0.75 HSD17B10 (0.47) LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL3448296 0.72 SLC6A1 (0.36) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL2252292 0.72 HSD17B10 (0.44) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL31054209 0.70 SLC6A1 (0.37) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL3448403 0.70 SLC6A1 (0.37) TSHRSLC6A1SLC6A11LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TSHR 995/4885SLC6A1 1429/4885SLC6A11 1332/4885

“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.