SCHEMBL4470862

SCHEMBL4470862

COc1ccccc1[CH]C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.59
▸ TFEB P19484 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.58
▸ GRIN2D O15399 2/20 0.54
▸ GRIN3B O60391 2/20 0.54
▸ GRIN1 Q05586 2/20 0.54
▸ GRIN2A Q12879 2/20 0.54
▸ GRIN2B Q13224 2/20 0.54
▸ GRIN2C Q14957 2/20 0.54
▸ GRIN3A Q8TCU5 2/20 0.54
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ BCHE P06276 1/20 0.53
▸ MAOB P27338 3/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA4 P22748 1/20 0.52

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
SCHEMBL28078108 0.84 KDM4E (0.68) NFE2L2TFEBKDM4EMAPTLMNA
SCHEMBL1477777 0.83 NFE2L2 (0.74) NFE2L2TFEBKDM4EMAPTLMNA
SCHEMBL29913403 0.83 NFE2L2 (0.74) NFE2L2TFEBKDM4EMAPTLMNA
SCHEMBL1379749 0.83 NFE2L2 (0.74) NFE2L2TFEBKDM4EMAPTLMNA
SCHEMBL1477685 0.83 NFE2L2 (0.74) NFE2L2TFEBKDM4EMAPTLMNA
1,2-Dimethoxybenzene SCHEMBL28118612 0.80 CA1 (0.72) NFE2L2TFEBKDM4EMAPTLMNA
SCHEMBL16817700 0.79 KDM4E (0.60) KDM4EMAPTLMNAATMNPSR1
SCHEMBL27815053 0.79 NFE2L2 (0.54) NFE2L2TFEBKDM4EGRIN2DGRIN3B
SCHEMBL21198000 0.78 KDM4E (0.56) NFE2L2TFEBKDM4EGRIN2DGRIN3B
SCHEMBL26608681 0.78 GRIN2D (0.56) NFE2L2TFEBKDM4EGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 — — US claimed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 — — US claimed
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
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 — — EP disclosed
EP-3798217-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-03-31 — — EP disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 — — US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 — — US disclosed
CN-110563717-A piperidine CXCR7receptor modulators 爱杜西亚药品有限公司 2019-12-13 — — CN disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 — — US disclosed
EP-3490986-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2019-06-05 — — EP disclosed
WO-2018019929-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-02-01 — — WO disclosed
EP-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 — — EP disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 — — US disclosed
WO-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 — — 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 (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-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 NFE2L2 3814/4885TFEB 1730/4885KDM4E 3361/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 NFE2L2 1741/4885TFEB 2829/4885KDM4E 3969/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 NFE2L2 1446/4885TFEB 3216/4885KDM4E 4194/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 NFE2L2 1446/4885TFEB 3216/4885KDM4E 4194/4885

“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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