SCHEMBL21480198

SCHEMBL21480198

O[C@@H]1CCCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.57
ALDH1A1 P00352 1/20 0.51
GBA1 P04062 1/20 0.49
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIN2B Q13224 2/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL19779531 1.00 FUCA1 (0.57) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL19779526 1.00 FUCA1 (0.57) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL1335166 0.91 FUCA1 (0.60) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL16497869 0.91 FUCA1 (0.60) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL67177 0.91 FUCA1 (0.60) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL46428 0.91 FUCA1 (0.60) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL5939998 0.88 ALDH1A1 (0.56) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5939994 0.88 ALDH1A1 (0.56) FUCA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL694513 0.84 FUCA1 (0.64) FUCA1ALDH1A1GBA1DRD2DRD3
SCHEMBL30539363 0.84 FUCA1 (0.64) FUCA1ALDH1A1GBA1DRD2DRD3

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-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 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 (2 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-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD FUCA1 658/4885ALDH1A1 416/4885GBA1 727/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD FUCA1 572/4885ALDH1A1 405/4885GBA1 575/4885

“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.