SCHEMBL2806187

SCHEMBL2806187

COCCCOc1cc(CC2(NC(=O)O)CC2)c(Cl)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL2811767 0.87 CA1 (0.40) KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL21327459 0.74 CYP2B6 (0.35) LPAR1KDM4EALDH1A1
SCHEMBL2806184 0.74 REN (0.49) NPSR1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL21327297 0.74 CYP2B6 (0.35) KDM4E
SCHEMBL13461294 0.72 HPGD (0.42) MAPTNPSR1ALDH1A1L3MBTL1HPGD
SCHEMBL3375031 0.72 MAPT (0.48) MAPTNPSR1HSP90AA1HTTKDM4E
SCHEMBL1072077 0.70 KDM4E (0.35) LPAR1KDM4EALDH1A1NPC1CYP3A4
SCHEMBL13132343 0.69 KMT2A (0.50) MAPTNPSR1HTTKDM4EALDH1A1
SCHEMBL13433968 0.69 MAPT (0.48) MAPTNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL3487799 0.69 KMT2A (0.45) MAPTNPSR1HSP90AA1HTTKDM4E

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 LPAR1 4610/4885MAPT 2380/4885NPSR1 1433/4885

“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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