SCHEMBL23357638

SCHEMBL23357638

NC1(CO)CCN(C(=O)c2cc[c]cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.37
▸ DDB1 Q16531 2/20 0.36
▸ CRBN Q96SW2 2/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL20722167 1.00 S1PR1 (0.37) S1PR1DDB1CRBNMGLLCYP3A4
SCHEMBL20722200 1.00 S1PR1 (0.37) S1PR1DDB1CRBNMGLLCYP3A4
SCHEMBL20739606 0.83 HPGD (0.51) SMN1; SMN2
SCHEMBL20739480 0.83 S1PR1 (0.44) S1PR1KDM1AITGB3ITGA2BCYP2D6
SCHEMBL20722178 0.83 HPGD (0.51) SMN1; SMN2
SCHEMBL28291397 0.81 BLM (0.41) CYP3A4CYP2C9HSD17B10ALDH1A1GAA
SCHEMBL23384545 0.81 S1PR1 (0.42) S1PR1GAAKDM1AITGB3ITGA2B
SCHEMBL20722161 0.80 ITGB3 (0.40) S1PR1CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL23384541 0.79 S1PR1 (0.41) S1PR1GAAKDM1AITGB3ITGA2B
SCHEMBL23384542 0.78 ITGB3 (0.42) S1PR1MGLLCYP3A4SMN1; SMN2ITGB3

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-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — 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-20210147361-A1 OXIME ETHER COMPOUNDS S1PR1, S1PR3, S1PR2 S1PR1 1/4885DDB1 2565/4885CRBN 717/4885
US-11059784-B2 Oxime ether compounds S1PR1, S1PR3, S1PR2 S1PR1 1/4885DDB1 2698/4885CRBN 739/4885

“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.

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