SCHEMBL5763660

SCHEMBL5763660

CC(C)(C)OC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
THRB P10828 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR119 Q8TDV5 2/20 0.49
STS P08842 1/20 0.49
LMNA P02545 1/20 0.48
IGF1R P08069 1/20 0.48
HPGDS O60760 1/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 2/20 0.46
PRMT5 O14744 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL7545800 0.87 HTT (0.59) HTTMEN1KMT2ATHRBKDM4E
SCHEMBL1653301 0.83 HTT (0.79) HTTMEN1KMT2ATHRBKDM4E
SCHEMBL29024490 0.82 DRD2 (0.59) HTTMEN1KMT2ATHRBKDM4E
SCHEMBL7547218 0.81 LCK (0.42) HTTSMN1; SMN2LMNA
SCHEMBL7500058 0.81 SMN1; SMN2 (0.54) THRBKDM4EMAPTGAASMN1; SMN2
SCHEMBL5452690 0.80 THRB (0.51) THRBKDM4EMAPTGAASMN1; SMN2
SCHEMBL5636028 0.80 THRB (0.51) HTTTHRBKDM4EMAPTGAA
SCHEMBL5763947 0.80 HPGDS (0.53) THRBKDM4EMAPTGAASMN1; SMN2
SCHEMBL29024484 0.80 THRB (0.52) THRBKDM4EMAPTGAASMN1; SMN2
SCHEMBL15037238 0.79 HTT (0.64) HTTMEN1KMT2ATHRBKDM4E

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 13 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-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
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 (1 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-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 HTT 4774/4885MEN1 4363/4885KMT2A 4787/4885

“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.