SCHEMBL2810161

SCHEMBL2810161

COCCCn1cc(CC2(NC(=O)O)CC2)c2c(Br)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ CNR2 P34972 6/20 0.32
▸ CNR1 P21554 4/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ NR3C1 P04150 1/20 0.30

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
SCHEMBL2812259 0.83 REN (0.43) RENCNR2CNR1KCNH2
SCHEMBL13131375 0.81 GSK3B (0.39) RENCCNB2PRKCBCDK1CCNB1
SCHEMBL2810156 0.78 REN (0.52) RENKCNH2
SCHEMBL13132358 0.74 REN (0.36) RENCCNB2PRKCBCDK1CCNB1
SCHEMBL2813360 0.73 CNR2 (0.42) RENCNR2CNR1HDAC3ALDH1A1
SCHEMBL2805458 0.70 HTR4 (0.37) RENCNR2CNR1KCNH2NR3C1
SCHEMBL13131374 0.68 CCNB2 (0.39) RENCCNB2PRKCBCDK1CCNB1
SCHEMBL2811767 0.68 CA1 (0.40) KDM4EUSP2ALDH1A1
SCHEMBL13131376 0.67 CCNA2 (0.42) RENCCNB2PRKCBCDK1CCNB1
SCHEMBL13131612 0.66 REN (0.76) REN

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-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 — — US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 — — 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CCNB2 192/4885PRKCB 3915/4885

“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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