SCHEMBL4136525

SCHEMBL4136525

NC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
MAPK1 P28482 1/20 0.65
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
HPGD P15428 1/20 0.52
EPHX1 P07099 1/20 0.50
BCAT2 O15382 1/20 0.48
CYP2D6 P10635 2/20 0.48
SRC P12931 2/20 0.48
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.45
CTSD P07339 1/20 0.45

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
SCHEMBL159419 1.00 LMNA (0.65) LMNAMAPK1CES2CES1HPGD
SCHEMBL4026125 1.00 LMNA (0.65) LMNAMAPK1CES2CES1HPGD
Hydrochloric Acid SCHEMBL8893721 0.98 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Water SCHEMBL28741444 0.98 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Benzoic Acid SCHEMBL4776749 0.89 LMNA (0.59) LMNAMAPK1CES2CES1HPGD
Butane SCHEMBL8389531 0.89 LMNA (0.54) LMNAMAPK1CES2CES1HPGD
SCHEMBL9015288 0.87 PTGS2 (0.52) LMNAMAPK1CES2CES1
Mandelic Acid SCHEMBL11083521 0.83 LMNA (0.86) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL8876737 0.80 LMNA (0.90) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL6056301 0.80 LMNA (0.90) LMNAMAPK1CES2CES1HPGD

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN claimed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP claimed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US claimed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 US claimed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 EP claimed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 WO claimed
CN-105294479-B A kind of 3R amino replaces the preparation method of butanamide derivatives 新发药业有限公司 2017-09-22 CN claimed
CN-120843487-A Nitrilase mutant with high stereoselectivity and hydration activity and application thereof 浙江工业大学 2025-10-28 CN disclosed
CN-117405791-B Construction method and quality detection method of fingerprint of lung-heat-clearing decoction compound preparation 江西药都樟树制药有限公司 2025-04-18 CN disclosed
CN-117405791-A Construction method and quality detection method of fingerprint of lung-heat-clearing decoction compound preparation 江西药都樟树制药有限公司 2024-01-16 CN disclosed
WO-2023012205-A1 SYNTHESIS OF SPECIFIC BUTYRATE COMPOUNDS DSM IP ASSETS B.V. (NL) 2023-02-09 WO disclosed
CN-110563717-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 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 (4 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LMNA 2735/4885MAPK1 72/4885CES2 2305/4885
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 LMNA 3703/4885MAPK1 1200/4885CES2 623/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 LMNA 4841/4885MAPK1 1111/4885CES2 2785/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 LMNA 4841/4885MAPK1 1111/4885CES2 2785/4885

“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.