SCHEMBL12723100

SCHEMBL12723100

COCc1ccc(N2CCNCC2COc2ccc3ccccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 11/20 0.47
▸ SLC6A4 P31645 11/20 0.47
▸ SLC6A3 Q01959 10/20 0.47
▸ CYP2D6 P10635 3/20 0.46
▸ HTR3A P46098 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ REN P00797 2/20 0.43

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
SCHEMBL6719840 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6HTR3A
SCHEMBL6721432 0.88 ALOX5 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6HTR3A
SCHEMBL6825128 0.85 REN (0.60) REN
SCHEMBL6724774 0.85 REN (0.56) REN
SCHEMBL6727994 0.85 REN (0.60) REN
SCHEMBL6721667 0.83 REN (0.54) SLC6A2SLC6A4SLC6A3REN
SCHEMBL6824940 0.81 REN (0.54) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL6724579 0.81 REN (0.54) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL6717253 0.80 REN (0.53) REN
SCHEMBL6724548 0.79 REN (0.71) REN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092703-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-04-21 — — 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-20110092703-A1 P2X4 RECEPTOR ANTAGONIST P2RX3, P2RX1, P2RX4 SLC6A2 642/4885SLC6A4 445/4885SLC6A3 619/4885

“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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