SCHEMBL21821612

SCHEMBL21821612

O=C1CCCC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 2/20 0.31

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
SCHEMBL21821574 0.97 KMT2A (0.34) POLBTSHRKMT2ACYP2C19MEN1
SCHEMBL21821775 0.87 KDM4E (0.39) POLBTSHRKMT2ACYP2C19MEN1
SCHEMBL21821685 0.82 HTR1A (0.32) KMT2ACYP2C19MEN1CYP3A4CYP2C9
SCHEMBL21821771 0.81 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL21822043 0.81 ALDH1A1 (0.40) POLBTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL21821683 0.80 SMN1; SMN2 (0.36) KMT2ACYP3A4LMNASMN1; SMN2ALDH1A1
SCHEMBL21822021 0.78 LMNA (0.36) TSHRKMT2ACYP2C19CYP3A4LMNA
SCHEMBL21821879 0.78 SMN1; SMN2 (0.33) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL21822028 0.75 SMN1; SMN2 (0.48) TSHRCYP2C19CYP3A4CYP2C9LMNA
SCHEMBL21821851 0.75 MAPT (0.50) KMT2ACYP2C19MEN1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969904-A Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-10-31 — — CN 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
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
CN-111148740-B Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-08-25 — — CN 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 POLB 4438/4885TSHR 4336/4885KMT2A 3378/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 POLB 4438/4885TSHR 4336/4885KMT2A 3378/4885

“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.

Send feedback