SCHEMBL63432

SCHEMBL63432

OC[C@@H]1C[C@H](CO)CN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.58
GBA1 P04062 1/20 0.57
CYP2D6 P10635 1/20 0.55
SIGMAR1 Q99720 2/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CCR3 P51677 1/20 0.47
CXCR4 P61073 1/20 0.45

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
SCHEMBL51716 1.00 FUCA1 (0.58) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL3582865 0.94 FUCA1 (0.63) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL5640368 0.87 CYP2D6 (0.65) FUCA1GBA1CYP2D6SIGMAR1ALDH1A1
SCHEMBL4058697 0.85 GBA1 (0.47) FUCA1GBA1CYP2D6S1PR1S1PR5
SCHEMBL62841 0.85 GBA1 (0.47) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL87320 0.85 GBA1 (0.47) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL87432 0.85 GBA1 (0.47) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL52152 0.85 GBA1 (0.47) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL21593501 0.83 GBA1 (0.43) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL62324 0.82 GBA1 (0.45) FUCA1GBA1CYP2D6SIGMAR1S1PR1

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG FUCA1 2329/4885GBA1 2972/4885CYP2D6 704/4885

“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.