SCHEMBL7769279

SCHEMBL7769279

C=Cc1ccc(OCCCC(C)n2ccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL9734661 0.76 CYP19A1 (0.52) QPCTKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL23301136 0.76 CYP19A1 (0.44) KMT2ACYP19A1KDM4E
Styrene SCHEMBL28020125 0.75 CYP17A1 (0.50) KMT2ACYP3A4CYP19A1KDM4EMEN1
Bromide SCHEMBL28376646 0.75 CYP19A1 (0.43) KMT2ACYP19A1KDM4E
SCHEMBL6289173 0.75 CHRNA7 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27918686 0.70 CYP19A1 (0.39) KMT2ACYP19A1KDM4E
SCHEMBL4905266 0.70 TDP1 (0.59) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1260922 0.69 CHRNA7 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9943360 0.69 CHRNA7 (0.61) KMT2ACYP1A2CYP2D6CHRNB2CHRNB4
SCHEMBL17414701 0.68 CYP17A1 (0.50) KMT2ACYP19A1KDM4ETBXAS1

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-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-11-22 — — US claimed
WO-2001074810-A2 METHOD FOR USING 2-ARYLOXYALKYLAMINOBENZOXAZOLES AND 2-ARYLOXYALKYLAMINOBENZOTHIAZOLES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 — — WO claimed

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-20010044439-A1 Method for using 2-aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles as H3 antagonists HRH3, HRH4, HRH2 QPCT 2020/4885KMT2A 35/4885CYP1A2 208/4885

“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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