SCHEMBL2805447

SCHEMBL2805447

COCCCOc1cc(CBr)c2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PPARG P37231 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ DRD3 P35462 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM1A O60341 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
SCHEMBL27774924 0.89 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2PPARG
SCHEMBL13131325 0.87 HPGD (0.43) NPC1RAB9AMAPTPPARGMAPK1
SCHEMBL2806149 0.87 MEN1 (0.37) NPC1RAB9APPARGMAPK1KDM4E
SCHEMBL4702310 0.81 MEN1 (0.48) MAPTSMN1; SMN2KDM4ETDP1CYP1A2
SCHEMBL27774925 0.80 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2PPARG
SCHEMBL27795801 0.79 NQO1 (0.44) MAPTSMN1; SMN2PPARGMAPK1KDM4E
SCHEMBL2810252 0.78 ALDH1A1 (0.37) RAB9ASMN1; SMN2PPARGKDM4ETDP1
SCHEMBL13490840 0.75 LTB4R (0.44) SMN1; SMN2KDM4ECYP1A2CYP2D6ALDH1A1
SCHEMBL2808494 0.73 REN (0.45) NPC1RAB9AMAPTSMN1; SMN2TDP1
SCHEMBL2807084 0.73 REN (0.35) ALDH1A1MEN1KMT2AL3MBTL1CYP3A4

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 NPC1 2995/4885RAB9A 870/4885MAPT 2380/4885

“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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