SCHEMBL4959967

SCHEMBL4959967

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM5 P41594 1/20 0.43
NR1H2 P55055 1/20 0.43
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
POLB P06746 1/20 0.41
STS P08842 3/20 0.41
KDM1A O60341 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
HDAC1 Q13547 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16321867 0.89 ESR2 (0.44) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL5497099 0.86 MEN1 (0.55) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL1867379 0.85 LMNA (0.45) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL6293413 0.84 GRM5 (0.50) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL11949150 0.84 ESR2 (0.39) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL11957392 0.83 POLB (0.39) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL18280097 0.82 GRM5 (0.46) ESR2MEN1KMT2AGRM5NR1H2
SCHEMBL5210950 0.81 GRM5 (0.47) ESR2GRM5NR1H2POLBSTS
SCHEMBL3642719 0.81 GRM5 (0.47) ESR2GRM5NR1H2GPR119MAPK1
SCHEMBL1009267 0.81 ESR2 (0.53) ESR2GRM5NR1H2KDM1AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 US disclosed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 US disclosed
EP-1131291-B1 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 US disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
EP-1131290-A1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
EP-1131291-A1 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
US-6140344-A FOR TREATING PATHOLOGICAL CONDITIONS SUCH AS ASTHMA, RHINITIS, ECZEMA AND PARASITIC INFECTIONS FEATURING TISSUE EOSINOPHILIA SYNTEX (U.S.A.) INC. (US) 2000-10-31 US disclosed
WO-2000031033-A1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 WO disclosed
WO-2000029377-A1 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III F. HOFFMANN-LA ROCHE AG (CH) 2000-05-25 WO disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP 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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 ESR2 1012/4885MEN1 3264/4885KMT2A 2923/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 ESR2 1012/4885MEN1 3264/4885KMT2A 2923/4885

“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.