SCHEMBL5765091

SCHEMBL5765091

CC(C)(C)OC(=O)N1CCC(c2c(C(C)(C)C)nc3ccccn23)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 4/20 0.48
THRB P10828 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
GPR119 Q8TDV5 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL7550572 0.79 GPR119 (0.49) MEN1KMT2APOLBTP53THRB
SCHEMBL949286 0.78 HPGDS (0.49) MEN1KMT2APOLBTP53THRB
SCHEMBL25237958 0.76 GPR119 (0.49) MEN1KMT2ATHRBALDH1A1TSHR
SCHEMBL948735 0.73 GPR119 (0.49) MEN1KMT2ATHRBALDH1A1TSHR
SCHEMBL949230 0.73 GPR119 (0.43) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL6039873 0.72 HPGDS (0.51) MEN1KMT2APOLBTHRBALDH1A1
SCHEMBL9924019 0.72 KDM4E (0.43) KMT2APOLBALDH1A1MAPTHPGD
SCHEMBL3843148 0.72 NAMPT (0.66) MEN1KMT2APOLBTP53THRB
SCHEMBL14770337 0.71 KDM4E (0.62) KMT2APOLBTP53ALDH1A1TSHR
SCHEMBL29518419 0.71 GPR119 (0.50) MEN1KMT2ATHRBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192133-B1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
US-7125887-B2 Pyrrolidine modulators of CCR5 chemokine receptor activity MERCK & CO., INC. (US) 2006-10-24 US disclosed
US-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2004-05-06 US disclosed
US-6593346-B2 Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. MERCK & CO. INC. 2003-07-15 US disclosed
US-6538002-B1 In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3. as antiinflammatory agents MERCK & CO., INC. 2003-03-25 US disclosed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US disclosed
US-6432981-B1 BLOCKS HUMAN IMMUNODEFICIENCY VIRUS (HIV) FROM ENTERING CELLS; AUTOIMMUNE DISEASES; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS MERCK & CO., INC. 2002-08-13 US disclosed
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 US disclosed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 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 (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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 MEN1 4707/4885KMT2A 4673/4885POLB 744/4885
US-20040087552-A1 Pyrrolidine modulators of ccr5 chemokine receptor activity CCR5, CCR1, CXCR1 MEN1 4711/4885KMT2A 4657/4885POLB 687/4885
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 MEN1 4363/4885KMT2A 4787/4885POLB 3569/4885

“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.