SCHEMBL21821628

SCHEMBL21821628

O=C1CC(c2ccccc2C(F)(F)F)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 9/20 0.41
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ OPRL1 P41146 1/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KCNK2 O95069 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL22111701 0.92 HTR1A (0.39) RBP4TSHRPOLBOPRL1SIGMAR1
SCHEMBL21821710 0.86 SLC18A3 (0.39) MAPK1LMNADRD3
SCHEMBL22111757 0.85 TSHR (0.36) RBP4TSHRPOLBTRPV6SIGMAR1
SCHEMBL21821570 0.85 LMNA (0.42) POLBSIGMAR1KCNK2MEN1LMNA
SCHEMBL21821934 0.84 L3MBTL1 (0.41) OPRL1TP53MEN1KMT2A
SCHEMBL22111728 0.82 HTR1A (0.34) DRD3
SCHEMBL21821789 0.82 ADRA2A (0.38) CYP3A4LMNA
SCHEMBL21821591 0.82 SLC18A3 (0.50) TSHRCYP2C19MEN1KMT2A
SCHEMBL21821914 0.81 SLC6A5 (0.39) TSHRSIGMAR1CYP2D6CYP2C19MAPK1
SCHEMBL29581980 0.81 RBP4 (0.45) RBP4TSHRPOLBOPRL1TRPV6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 — — EP 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 RBP4 2495/4885TSHR 4336/4885POLB 4438/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 RBP4 2495/4885TSHR 4336/4885POLB 4438/4885

“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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