SCHEMBL13131392

SCHEMBL13131392

CCc1cc(Cl)c2c(Br)nn(CCCOC)c2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ GLA P06280 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NR3C1 P04150 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3R5 Q8WYR1 1/20 0.30
▸ PIK3R3 Q92569 1/20 0.30

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
SCHEMBL13132275 0.90 REN (0.36) RENGLAKMT2ATDP1NR3C1
SCHEMBL13131395 0.87 REN (0.45) RENHTR1ADRD2DRD4HTR2A
SCHEMBL13132284 0.83 KMT2A (0.37) RENKMT2A
SCHEMBL13132282 0.82 REN (0.38) RENGLAKMT2ATDP1NR3C1
SCHEMBL13132283 0.81 REN (0.35) RENGLAKMT2ATDP1NR3C1
SCHEMBL12525512 0.81 REN (0.38) RENKMT2ANR3C1PIK3CDPIK3R2
SCHEMBL2840433 0.79 REN (0.46) REN
SCHEMBL2840438 0.78 REN (0.37) RENTDP1NR3C1PIK3CDPIK3R2
SCHEMBL13131389 0.78 PDE4D (0.39) RENHTR1ADRD2DRD4HTR2A
SCHEMBL18508625 0.78 HTR2A (0.33) HTR1ADRD2DRD4HTR2AHTR2C

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 1/4885HTR1A 1272/4885DRD2 163/4885

“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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