SCHEMBL21480155

SCHEMBL21480155

OC[C@]12CCCC[C@H]1CN(Cc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
FUCA1 P04066 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19779412 1.00 ALDH1A1 (0.43) ALDH1A1FUCA1CYP1A2CYP3A4CYP2D6
SCHEMBL21480154 1.00 ALDH1A1 (0.43) ALDH1A1FUCA1CYP1A2CYP3A4CYP2D6
SCHEMBL5654095 0.96 ALDH1A1 (0.44) ALDH1A1FUCA1CYP1A2CYP3A4CYP2D6
SCHEMBL5465323 0.96 ALDH1A1 (0.44) ALDH1A1FUCA1CYP1A2CYP3A4CYP2D6
SCHEMBL8388967 0.90 FUCA1 (0.44) ALDH1A1FUCA1POLBOPRL1
SCHEMBL7386938 0.88 SLC6A2 (0.49) ALDH1A1FUCA1CYP1A2CYP3A4CYP2D6
SCHEMBL7386941 0.88 SLC6A2 (0.49) ALDH1A1FUCA1CYP1A2CYP3A4CYP2D6
SCHEMBL31325224 0.81 FUCA1 (0.46) ALDH1A1FUCA1OPRL1MEN1TSHR
SCHEMBL4482745 0.81 FUCA1 (0.46) ALDH1A1FUCA1OPRL1MEN1TSHR
SCHEMBL7694829 0.78 HTR2A (0.46) CYP1A2CYP3A4CYP2D6MEN1TSHR

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 ALDH1A1 416/4885FUCA1 658/4885CYP1A2 467/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD ALDH1A1 405/4885FUCA1 572/4885CYP1A2 392/4885

“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.