SCHEMBL19987522

SCHEMBL19987522

CCC(C)c1ccc(Cl)c(OC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.40
RXRA P19793 9/20 0.40
GRIN1 Q05586 9/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 9/20 0.39
PDE4A P27815 1/20 0.38

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
SCHEMBL14827558 0.84 GRIN2B (0.45) GRIN2BRXRAGRIN1KCNH2PDE4A
SCHEMBL27021902 0.81 ALDH1A1 (0.51) USP2ALDH1A1GAAPKMHPGD
SCHEMBL19965694 0.79 LMNA (0.47) USP2ALDH1A1GAAPKMHPGD
SCHEMBL6024128 0.77 AKR1C3 (0.52) ALDH1A1GAA
SCHEMBL19232060 0.76 CYP2C19 (0.40) USP2ALDH1A1GAAPKMHPGD
SCHEMBL27363114 0.76 ALDH1A1 (0.48) USP2ALDH1A1GAAPKMHPGD
SCHEMBL18848621 0.76 ALDH1A1 (0.48) USP2ALDH1A1GAAPKMHPGD
SCHEMBL9963710 0.76 ALDH1A1 (0.48) USP2ALDH1A1GAAPKMHPGD
SCHEMBL16770733 0.76 ALDH1A1 (0.48) USP2ALDH1A1GAAPKMHPGD
SCHEMBL25027442 0.76 GRIN2B (0.47) GRIN2BRXRAGRIN1ALDH1A1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020249796-A1 PYRAZINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT GRIN2B 2098/4885RXRA 3423/4885GRIN1 1613/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT GRIN2B 2098/4885RXRA 3423/4885GRIN1 1613/4885

“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.