SCHEMBL18330811

SCHEMBL18330811

CC(N)Cc1coc2ccc(Br)cc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ HTR2A P28223 4/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ PFKFB3 Q16875 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 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
SCHEMBL30211117 1.00 ALDH1A1 (0.42) ALDH1A1HTTPTPN1HTR2AHTR2C
SCHEMBL9844197 0.80 PTPN1 (0.47) ALDH1A1HTTPTPN1HTR2CPFKFB3
SCHEMBL29592044 0.80 PTPN1 (0.47) ALDH1A1HTTPTPN1HTR2CPFKFB3
SCHEMBL20912810 0.77 CA2 (0.51) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL10667646 0.77 CA2 (0.51) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL29611417 0.77 CA2 (0.51) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL28969310 0.76 HTT (0.39) ALDH1A1HTTPTPN1PFKFB3MEN1
SCHEMBL8950172 0.76 HTR1A (0.59) ALDH1A1HTTPTPN1HTR2AHTR2C
SCHEMBL23929165 0.76 ALDH1A1 (0.39) ALDH1A1HTTPTPN1PFKFB3MEN1
SCHEMBL21954375 0.75 PTPN1 (0.46) ALDH1A1HTTPTPN1HTR2CMEN1

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
CN-115667275-B Boron-containing compounds and uses thereof 南京再明医药有限公司 2024-02-23 — — CN disclosed
CN-115667275-A Boron-containing compounds and their use 先声药业有限公司 2023-01-31 — — CN disclosed
WO-2021213358-A1 BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2021-10-28 — — WO disclosed
WO-2021213358-A1 BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2021-10-28 — — WO disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 — — US disclosed
EP-3312184-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2018-04-25 — — EP disclosed
WO-2016202161-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2016-12-22 — — WO 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 (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-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF GPER1, CYP19A1, PGR ALDH1A1 195/4885HTT 3920/4885PTPN1 2771/4885

“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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