SCHEMBL2833986

SCHEMBL2833986

COCCCn1nc(Cc2ccccc2)c2ccc(CN(C(=O)O)C3CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.51
▸ HRH1 P35367 5/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ ADRA1B P35368 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ITK Q08881 1/20 0.38

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
SCHEMBL13132277 0.90 REN (0.46) RENHRH1KCNH2ADRA1AADRA1B
SCHEMBL13448648 0.88 REN (0.45) RENHRH1KCNH2ADRA1AADRA1B
SCHEMBL13131580 0.86 REN (0.74) REN
SCHEMBL2808527 0.86 REN (0.46) RENITK
SCHEMBL2810345 0.84 REN (0.44) RENITK
SCHEMBL2834678 0.84 REN (0.49) RENHRH1OPRM1ADRA1AADRA1B
SCHEMBL18509079 0.83 REN (0.40) RENHRH1OPRM1KCNH2ADRA1A
SCHEMBL2813578 0.83 REN (0.44) RENITK
SCHEMBL18509080 0.82 HSD11B1 (0.39) RENHRH1ADRA1AADRA1BCYP3A4
SCHEMBL13132383 0.81 HRH1 (0.38) RENHRH1KCNH2ADRA1AADRA1B

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 1/4885HRH1 293/4885OPRM1 175/4885

“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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