SCHEMBL2840438

SCHEMBL2840438

COCCCn1nc(Br)c2c(Cl)cc(CC3(NC(=O)O)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.37
▸ HTR4 Q13639 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ IL1B P01584 3/20 0.32
▸ P2RX7 Q99572 3/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R2 O00459 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PIK3R5 Q8WYR1 1/20 0.31
▸ PIK3R3 Q92569 1/20 0.31

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
SCHEMBL2806190 0.91 REN (0.45) RENHTR4NR3C1KCNH2
SCHEMBL2808531 0.84 REN (0.37) RENHTR4KCNH2MAPK1KDM4E
SCHEMBL13132275 0.79 REN (0.36) RENNR3C1TDP1PIK3CDPIK3R2
SCHEMBL2840433 0.79 REN (0.46) REN
SCHEMBL13131392 0.78 REN (0.35) RENNR3C1TDP1PIK3CDPIK3R2
SCHEMBL2833989 0.76 HRH1 (0.37) RENHTR4KCNH2MAPK1KDM4E
SCHEMBL13132282 0.76 REN (0.38) RENNR3C1KDM4EALDH1A1TDP1
SCHEMBL2810347 0.76 KDM4C (0.40) RENHTR4KCNH2MAPK1KDM4E
SCHEMBL2805458 0.76 HTR4 (0.37) RENHTR4NR3C1KCNH2MAPK1
SCHEMBL12525512 0.75 REN (0.38) RENNR3C1ALDH1A1PIK3CDPIK3R2

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 1/4885HTR4 1324/4885NR3C1 1114/4885

“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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