SCHEMBL5600801

SCHEMBL5600801

Cn1c(C(=O)O)cc2cccc(Cl)c21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.56
▸ CCR2 P41597 6/20 0.55
▸ CCR9 P51686 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FDPS P14324 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ DAO P14920 1/20 0.41

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
SCHEMBL7881808 0.83 L3MBTL1 (0.49) CCR2CCR9KDM4EALDH1A1HPGD
SCHEMBL7879847 0.81 MCL1 (0.57) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL3229944 0.81 MCL1 (0.57) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL10233030 0.81 MCL1 (0.57) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL689437 0.80 MCL1 (0.56) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL13456549 0.80 MCL1 (0.56) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL31060526 0.80 MCL1 (0.47) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL3258061 0.80 MCL1 (0.56) MCL1CCR2CCR9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3559968 0.79 MCL1 (0.54) MCL1CCR2KDM4EALDH1A1HPGD
SCHEMBL3747639 0.78 KDM4E (0.60) MCL1CCR2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 — — CN claimed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 — — CN claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 — — US claimed
US-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2023-02-09 — — US disclosed
WO-2023287704-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2023-01-19 — — WO disclosed
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 — — CN disclosed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 — — US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 — — EP disclosed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 — — CN disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 — — US 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-20230039586-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 MCL1 4696/4885CCR2 1526/4885CCR9 3512/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 MCL1 3552/4885CCR2 1379/4885CCR9 1460/4885

“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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