SCHEMBL19965670

SCHEMBL19965670

COc1ccc(N(C)C)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.49
NNMT P40261 1/20 0.44
KDM1A O60341 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP2A6 P11509 2/20 0.42
AVPR1A P37288 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL8980792 0.80 OXTR (0.44) OXTRNNMTKDM1AHSD17B1HSD17B2
SCHEMBL5182975 0.77 OXTR (0.44) OXTRNNMTKDM1AAVPR1A
SCHEMBL11803312 0.76 OXTR (0.58) OXTRNNMTAVPR1AALDH1A1MKNK1
SCHEMBL1238891 0.75 OXTR (0.41) OXTRNNMTAVPR1A
SCHEMBL20789939 0.75 GABRP (0.40) OXTRALDH1A1ALOX15TSHRHSD17B10
SCHEMBL15926165 0.74 OXTR (0.41) OXTRAVPR1A
SCHEMBL7672381 0.74 OXTR (0.49) OXTRNNMTHSD17B1HSD17B2AVPR1A
SCHEMBL1238726 0.74 OXTR (0.40) OXTR
SCHEMBL31563753 0.73 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRHSD17B10KCNH2
SCHEMBL2100924 0.73 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRHSD17B10KCNH2

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-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 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
CN-1070047-C Hair coloring composition BRISTOL MYERS SQUIBB CO (US) 2001-08-29 CN disclosed
CN-1105234-A Hair coloring composition BRISTOL MYERS SQUIBB CO (US) 1995-07-19 CN 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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT OXTR 4139/4885NNMT 18/4885KDM1A 100/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT OXTR 4139/4885NNMT 18/4885KDM1A 100/4885

“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.