SCHEMBL14368708

SCHEMBL14368708

O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.45
▸ TAOK3 Q9H2K8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CYP4Z1 Q86W10 1/20 0.43
▸ SLC6A9 P48067 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.43
▸ ADRB1 P08588 1/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ ADH5 P11766 1/20 0.41
▸ LSS P48449 1/20 0.41
▸ F10 P00742 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14392756 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BKMT2ATAOK1
SCHEMBL27778315 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BKMT2ATAOK1
SCHEMBL5662755 0.86 CYP1A2 (0.48) KMT2ACYP3A4F10CD38
SCHEMBL14368771 0.86 RAB9A (0.54) HTR2AKMT2ADRD3F10MAPT
SCHEMBL27757453 0.86 RAB9A (0.54) HTR2AKMT2ADRD3F10MAPT
SCHEMBL14369049 0.86 CCR3 (0.44) HTR2AHTR2CHTR2BTAOK1TAOK3
SCHEMBL14369059 0.85 CCR3 (0.44) HTR2AHTR2CHTR2BTAOK1TAOK3
SCHEMBL4566657 0.85 CCR3 (0.44) HTR2AHTR2CHTR2BTAOK1TAOK3
SCHEMBL14368994 0.84 CCR3 (0.43) HTR2AHTR2CHTR2BTAOK1TAOK3
SCHEMBL4426204 0.84 CCR3 (0.43) HTR2AHTR2CHTR2BTAOK1TAOK3

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-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 HTR2A 1353/4885HTR2C 722/4885HTR2B 1127/4885

“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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