SCHEMBL23015677

SCHEMBL23015677

CCCCCC(CN)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SPHK1 Q9NYA1 1/20 0.41
TP53 P04637 1/20 0.40
DNM1 Q05193 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL17903494 0.98 OPRM1 (0.48) OPRM1ALDH1A1TDP1SPHK1DNM1
SCHEMBL18124690 0.92 ALDH1A1 (0.54) OPRM1ALDH1A1TDP1SPHK1DNM1
SCHEMBL4857794 0.92 ALDH1A1 (0.54) OPRM1ALDH1A1TDP1SPHK1DNM1
SCHEMBL24138702 0.82 OPRM1 (0.43) OPRM1ALDH1A1TDP1SPHK1TP53
SCHEMBL28202256 0.81 OPRM1 (0.50) OPRM1SPHK1TP53DNM1TSHR
SCHEMBL6606474 0.81 OPRM1 (0.50) OPRM1SPHK1TP53DNM1TSHR
SCHEMBL28291438 0.81 OPRM1 (0.50) OPRM1SPHK1TP53DNM1TSHR
SCHEMBL11333881 0.81 OPRM1 (0.50) OPRM1SPHK1TP53DNM1TSHR
SCHEMBL5932767 0.81
SCHEMBL3626376 0.81 OPRM1 (0.46) OPRM1ALDH1A1TDP1SPHK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 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 (1 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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 OPRM1 4421/4885ALDH1A1 1092/4885TDP1 780/4885

“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.