SCHEMBL22345017

SCHEMBL22345017

CCN(C(=O)CCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)nc2ccccc21)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 7/20 0.48
HRH1 P35367 7/20 0.47
CYP2D6 P10635 4/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CHRM1 P11229 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 3/20 0.42
OGFRL1 Q5TC84 3/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 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
SCHEMBL26263181 0.90 KDM4E (0.40) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL19021317 0.89 CYP2D6 (0.43) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL19021335 0.89 KCNH2 (0.50) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL30531188 0.89 USP2 (0.50) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL22345044 0.89 USP2 (0.50) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL19021763 0.88 KCNH2 (0.49) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL19021905 0.86 CYP2D6 (0.41) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL19021867 0.85 USP2 (0.67) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL30531145 0.85 USP2 (0.67) USP2POLBKCNH2HRH1CYP2D6
SCHEMBL26263188 0.82 P2RX3 (0.41) USP2POLBKCNH2HRH1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752128-B2 Benzimidazoles and indoles as taro inhibitors MERCK SHARP & DOHME CORPORATION (US) 2023-09-12 US disclosed
EP-3389785-B1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME (US) 2023-08-16 EP disclosed
US-20210346344-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-11 US disclosed
US-11141403-B2 Benzimidazoles and indoles as taro inhibitors MERCK SHARP & DOHME CORP (US) 2021-10-12 US disclosed
US-20200261410-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 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 (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-11141403-B2 Benzimidazoles and indoles as taro inhibitors CSDE1, IDO1, TMBIM6 USP2 4637/4885POLB 343/4885KCNH2 2454/4885
US-20210346344-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS CSDE1, IDO1, TMBIM6 USP2 4637/4885POLB 343/4885KCNH2 2454/4885
US-11752128-B2 Benzimidazoles and indoles as taro inhibitors CSDE1, IDO1, TMBIM6 USP2 4637/4885POLB 343/4885KCNH2 2454/4885
US-20200261410-A1 BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS CSDE1, IDO1, TMBIM6 USP2 4637/4885POLB 343/4885KCNH2 2454/4885

“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.