SCHEMBL20656066

SCHEMBL20656066

CC(C)OCCN1CCCC(CC(C)N2CCC(N3CCCC3)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.34
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MBTD1 Q05BQ5 1/20 0.30
▸ L3MBTL3 Q96JM7 1/20 0.30

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
SCHEMBL27055532 0.75 BCHE (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL20656041 0.74 SLC6A2 (0.35) HRH3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL21661017 0.73 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL22890900 0.71 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL25804761 0.70 HRH3 (0.36) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL22917561 0.70 CHRM5 (0.33) CYP3A4
SCHEMBL13541805 0.69 HRH3 (0.51) HRH3CYP3A4CYP2C9L3MBTL3
SCHEMBL25600523 0.69 KDM1A (0.38) HRH3SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL24461609 0.69 KDM1A (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL27051363 0.69 KDM1A (0.39) SLC6A2SLC6A4SLC6A3

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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 — — US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 — — 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 (2 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 HRH3 2078/4885SLC6A2 3282/4885SLC6A4 1840/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 HRH3 2078/4885SLC6A2 3282/4885SLC6A4 1840/4885

“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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