SCHEMBL2812259

SCHEMBL2812259

COCCCn1cc(CC2(NC(=O)O)CC2)c2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CNR2 P34972 3/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ P2RX7 Q99572 13/20 0.40
▸ IL1B P01584 9/20 0.40

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
SCHEMBL2813360 0.86 CNR2 (0.42) RENKCNH2CNR2CNR1P2RX7
SCHEMBL2810161 0.83 REN (0.35) RENKCNH2CNR2CNR1
SCHEMBL13131417 0.81 REN (0.45) RENKCNH2CNR2CNR1P2RX7
SCHEMBL2805458 0.80 HTR4 (0.37) RENKCNH2CNR2CNR1P2RX7
SCHEMBL2812256 0.77 REN (0.63) RENKCNH2
SCHEMBL1070942 0.73 REN (0.44) RENKCNH2CNR2CNR1P2RX7
SCHEMBL13131362 0.70 REN (0.51) RENKCNH2CNR2CNR1P2RX7
SCHEMBL2805278 0.70 CDC25A (0.45) CNR2CNR1
SCHEMBL3566159 0.69 CNR2 (0.40) RENKCNH2CNR2CNR1P2RX7
SCHEMBL2035744 0.68 CNR1 (0.49) CNR2CNR1P2RX7IL1B

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 1/4885KCNH2 39/4885CNR2 612/4885

“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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