SCHEMBL2833989

SCHEMBL2833989

COCCCn1nc(Cc2ccccc2)c2ccc(CC3(NC(=O)O)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 8/20 0.37
▸ KCNH2 Q12809 6/20 0.37
▸ ADRA1A P35348 5/20 0.37
▸ ADRA1B P35368 5/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ HRH2 P25021 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ HTR4 Q13639 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ REN P00797 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC22A12 Q96S37 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
SCHEMBL2808531 0.86 REN (0.37) KCNH2CYP2C9CYP2C19CYP2D6HTR4
SCHEMBL2810347 0.85 KDM4C (0.40) KCNH2CYP2C9CYP2C19CYP2D6HTR4
SCHEMBL2813583 0.81 SLC22A12 (0.39) KCNH2HTR4RENALDH1A1HPGD
SCHEMBL2806953 0.79 REN (0.33) KCNH2HTR4RENMEN1KMT2A
SCHEMBL2833986 0.79 REN (0.51) HRH1KCNH2ADRA1AADRA1BCYP2C9
SCHEMBL13132383 0.77 HRH1 (0.38) HRH1KCNH2ADRA1AADRA1BCYP2C9
SCHEMBL2840438 0.76 REN (0.37) KCNH2CYP2D6HTR4CYP1A2REN
SCHEMBL2806190 0.76 REN (0.45) KCNH2HTR4REN
SCHEMBL2805458 0.74 HTR4 (0.37) KCNH2CYP3A4HTR4RENMAPK1
SCHEMBL13132277 0.74 REN (0.46) HRH1KCNH2ADRA1AADRA1BCYP2C9

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 HRH1 293/4885KCNH2 39/4885ADRA1A 267/4885

“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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