SCHEMBL20655375

SCHEMBL20655375

CCCC(C)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
TYRO3 Q06418 1/20 0.33

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
SCHEMBL24040191 0.93 OPRL1 (0.37) TSHRL3MBTL3L3MBTL1SIGMAR1TP53
SCHEMBL18713077 0.86 TSHR (0.45) TSHRL3MBTL1SIGMAR1TP53ALDH1A1
SCHEMBL24127742 0.86 L3MBTL3 (0.38) TSHRL3MBTL3L3MBTL1SIGMAR1TP53
SCHEMBL20094630 0.83 TSHR (0.38) TSHRL3MBTL3L3MBTL1TP53ALDH1A1
SCHEMBL20962697 0.82 SIGMAR1 (0.42) TSHRSIGMAR1TP53ALDH1A1OPRM1
SCHEMBL13881902 0.81 MC4R (0.36) TSHRALDH1A1OPRM1MEN1KMT2A
SCHEMBL24755103 0.80 GNAI3 (0.44) OPRM1OPRL1
SCHEMBL19356005 0.78 KDM1A (0.36) L3MBTL3L3MBTL1TP53MEN1KMT2A
SCHEMBL22281038 0.78 MEN1 (0.36) L3MBTL3L3MBTL1TP53ALDH1A1OPRM1
SCHEMBL134732 0.77 L3MBTL3 (0.39) TSHRL3MBTL3L3MBTL1ALDH1A1

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 TSHR 2545/4885L3MBTL3 4875/4885L3MBTL1 4872/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 TSHR 2545/4885L3MBTL3 4875/4885L3MBTL1 4872/4885

“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.