SCHEMBL25495441

SCHEMBL25495441

C=C(O)CC1(CN)CCCC([18F])C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL23960623 0.83 ALDH1A1 (0.58) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL10042103 0.74 USP2 (0.63) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL23960622 0.73 CYP1A2 (0.36) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL25495427 0.67 CYP1A2 (0.56) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL25495438 0.67 CYP1A2 (0.56) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL27726 0.63 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL2338208 0.63 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL7416439 0.63 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL6377387 0.63 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3866042 0.63 CYP1A2 (0.81) CYP1A2USP2ALDH1A1LMNATSHR

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-20230150922-A1 Fluorinated Derivatives of Gabapentin and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-18 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-20230150922-A1 Fluorinated Derivatives of Gabapentin and Methods of Use Thereof GABRE, GABBR1, GABRB3 CYP1A2 1530/4885USP2 4550/4885ALDH1A1 1279/4885

“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.