SCHEMBL19965679

SCHEMBL19965679

CCCCCCC(C)c1cnc(N(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
GRM5 P41594 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC2A1 P11166 1/20 0.33
NR1I2 O75469 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL19464666 0.83 NR1I2 (0.38) GRM5KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL19231989 0.81 GPR84 (0.38) GPR84SLC2A1OPRM1
SCHEMBL21755168 0.79 OPRM1 (0.38) GPR84KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL19232020 0.77 SLC2A1 (0.36) GPR84SLC2A1OPRM1
SCHEMBL19231971 0.77 SLC2A1 (0.36) GPR84SLC2A1OPRM1
SCHEMBL21755084 0.75 ACACB (0.36) GPR84ALDH1A1HSD17B10SLC2A1
SCHEMBL19987490 0.75 SLC2A1 (0.35) GPR84SLC2A1OPRM1
SCHEMBL19987523 0.75 NR1I2 (0.39) GRM5KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL18661804 0.73 SLC2A1 (0.39) GPR84SLC2A1NR1I2
SCHEMBL21730035 0.72 GAA (0.43) ALDH1A1ALOX15HSD17B10SLC2A1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (4 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT GPR84 2521/4885GRM5 1674/4885KDM4E 272/4885
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT GPR84 74/4885GRM5 277/4885KDM4E 2146/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT GPR84 1928/4885GRM5 1099/4885KDM4E 375/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT GPR84 1928/4885GRM5 1099/4885KDM4E 375/4885

“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.