SCHEMBL5745429

SCHEMBL5745429

CC(C)(C)[C@H](N)C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
GPR183 P32249 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 2/20 0.47
PTPN7 P35236 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CACNA1G O43497 2/20 0.46
CCR3 P51677 1/20 0.45
MAPT P10636 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5745427 1.00 FAAH (0.53) FAAHSIGMAR1GPR183SMN1; SMN2POLB
SCHEMBL5743942 0.86 FAAH (0.57) FAAHSIGMAR1GPR183SMN1; SMN2POLB
SCHEMBL5743938 0.86 FAAH (0.57) FAAHSIGMAR1GPR183SMN1; SMN2POLB
SCHEMBL3317735 0.80 ALDH1A1 (0.64) FAAHSMN1; SMN2POLBALDH1A1MEN1
SCHEMBL4491038 0.79 MAPT (0.58) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL4491041 0.79 MAPT (0.58) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL5030322 0.78 KDM1A (0.57) FAAHSIGMAR1GPR183SMN1; SMN2POLB
SCHEMBL5743129 0.77 HRH2 (0.49) FAAHSIGMAR1GPR183SMN1; SMN2ALDH1A1
SCHEMBL2932153 0.77 SIGMAR1 (0.69) FAAHSIGMAR1GPR183SMN1; SMN2POLB
SCHEMBL5743133 0.77 HRH2 (0.49) FAAHSIGMAR1GPR183SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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 FAAH 1186/4885SIGMAR1 309/4885GPR183 78/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 FAAH 1186/4885SIGMAR1 309/4885GPR183 78/4885

“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.