SCHEMBL2813583

SCHEMBL2813583

COCCCn1nc(C2CCCC2)c2ccc(CC3(NC(=O)O)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.39
▸ REN P00797 7/20 0.37
▸ ITK Q08881 8/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL2808531 0.85 REN (0.37) SLC22A12RENKDM4EALDH1A1HPGD
SCHEMBL2833989 0.81 HRH1 (0.37) SLC22A12RENKDM4EALDH1A1HPGD
SCHEMBL2813578 0.81 REN (0.44) SLC22A12RENITK
SCHEMBL2810347 0.81 KDM4C (0.40) RENITKKDM4EALDH1A1HPGD
SCHEMBL2806953 0.80 REN (0.33) RENKCNH2HTR4
SCHEMBL13132446 0.78 ITK (0.42) SLC22A12RENITKKDM4EALDH1A1
SCHEMBL13132302 0.74 REN (0.40) SLC22A12RENITK
SCHEMBL2840438 0.74 REN (0.37) RENKDM4EALDH1A1KCNH2HTR4
SCHEMBL2806190 0.73 REN (0.45) RENKCNH2HTR4
SCHEMBL13132439 0.73 ITK (0.40) SLC22A12RENITKALDH1A1

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 SLC22A12 2804/4885REN 1/4885ITK 2985/4885

“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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