SCHEMBL2808561

SCHEMBL2808561

NCCn1cc(Cl)c2ccc(CC3(NC(=O)O)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 7/20 0.42
▸ HTR6 P50406 1/20 0.36
▸ PDE4A P27815 5/20 0.34
▸ PDE4B Q07343 5/20 0.34
▸ PDE4C Q08493 5/20 0.34
▸ PDE4D Q08499 5/20 0.34
▸ IL1B P01584 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ PTGER4 P35408 4/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL2808557 0.74 SLC22A12 (0.40) SLC22A12HTR6
SCHEMBL2807534 0.70 PRKAB2 (0.38) PTGER4
SCHEMBL2811077 0.69 SLC22A12 (0.38) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL5913507 0.64 MAOA (0.42) HDAC6
SCHEMBL2808531 0.64 REN (0.37) SLC22A12
SCHEMBL4315681 0.64 PNMT (0.33) —
SCHEMBL16040906 0.63 ADRB2 (0.44) HDAC6
SCHEMBL662617 0.61 XDH (0.35) PTGER4CNR2
SCHEMBL13132400 0.60 SLC22A12 (0.39) SLC22A12HDAC6CNR2
SCHEMBL664894 0.60 P2RX7 (0.36) P2RX7

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 SLC22A12 2804/4885HTR6 1848/4885PDE4A 2172/4885

“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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