SCHEMBL17892425

SCHEMBL17892425

COC(=O)C1(C)CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
LMNA P02545 1/20 0.30
OPRM1 P35372 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Hydrochloric Acid SCHEMBL23363609 0.98 NPSR1 (0.36) NPSR1ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL1708154 0.88 NPSR1 (0.35) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL14804605 0.88 NPSR1 (0.35) NPSR1MEN1CYP3A4KMT2ACYP4F2
Hydrochloric Acid SCHEMBL30282462 0.86 NPSR1 (0.34) NPSR1KMT2ALMNAOPRM1
Hydrochloric Acid SCHEMBL3002144 0.86 NPSR1 (0.34) NPSR1KMT2ALMNAOPRM1
SCHEMBL14709691 0.85 NPSR1 (0.37) NPSR1MEN1CYP3A4KMT2ACYP4F2
Hydrochloric Acid SCHEMBL15153450 0.83 NPSR1 (0.36) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL567320 0.80 BRD4 (0.41) ALDH1A1MEN1KMT2AOPRM1SMN1; SMN2
SCHEMBL567321 0.80 BRD4 (0.41) ALDH1A1MEN1KMT2AOPRM1SMN1; SMN2
SCHEMBL5215702 0.80 BRD4 (0.41) ALDH1A1MEN1KMT2AOPRM1SMN1; SMN2

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
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-20230137585-A1 6-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING DISEASES AND CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2023-05-04 US disclosed
US-20230137585-A1 6-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING DISEASES AND CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2023-05-04 US disclosed
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016106623-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
CN-1911930-A Chemokine receptor anagonists, methods and use therefor MILLENNIUM PHARM INC (US) 2007-02-14 CN disclosed
CN-1585772-A Chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC (US) 2005-02-23 CN 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 (3 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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 NPSR1 4371/4885ALDH1A1 3567/4885MEN1 3559/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 NPSR1 4371/4885ALDH1A1 3567/4885MEN1 3559/4885
US-20230137585-A1 6-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING DISEASES AND CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY CFTR, PKD2, PKD1 NPSR1 4315/4885ALDH1A1 2014/4885MEN1 2745/4885

“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.