SCHEMBL6879832

SCHEMBL6879832

NCC1(CC(=O)O)C[C@H]2C[C@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
CACNA2D1 P54289 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.38
HSD11B1 P28845 2/20 0.36
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
SLC6A12 P48065 3/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
GLRA1 P23415 1/20 0.31
SLC6A9 P48067 1/20 0.31
OR51E2 Q9H255 1/20 0.31
GABRR1 P24046 4/20 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
SCHEMBL5392232 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL6056281 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5406229 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5384869 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5529607 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL14459057 0.91 CYP1A2 (0.50) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7432467 0.89 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL23355288 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL2592513 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5388086 0.88 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR

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-6784208-B2 BICYCLIC FUSED HYDROCARBON RINGS SUBSTITUTED WITH AMINOMETHYL AND CARBOXYMETHYL GROUPS ON SAME POSITION OF RING; 3-AMINOMETHYL-BICYCLO(3.2.0)HEPTANE-3-ACETIC ACID FOR EXAMPLE WARNER-LAMBERT COMPANY 2004-08-31 US claimed
US-20020161047-A1 Method for preventing and treating visceral pain and gastrointestinal disorders WARNER-LAMBERT COMPANY 2002-10-31 US claimed

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-20020161047-A1 Method for preventing and treating visceral pain and gastrointestinal disorders ALPI, VIP, SLC10A2 CYP1A2 845/4885ALDH1A1 420/4885USP2 3321/4885

“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.