SCHEMBL5743437

SCHEMBL5743437

Cc1ccc(C(=O)N[C@H](CO)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CCR3 P51677 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL5870655 1.00 CNR1 (0.56) CNR1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10946340 0.84 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL14817937 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL12302079 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL12302080 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL704341 0.82 TAS1R3 (0.58) CNR1MEN1KMT2ACCR3TAS1R3
SCHEMBL178377 0.80 MEN1 (0.59) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL10320724 0.79 TAS1R3 (0.50) CNR1SMN1; SMN2GAACCR3TAS1R3
SCHEMBL29934078 0.79 LMNA (0.56) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL15272085 0.78 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2HPGDALDH1A1

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 11 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
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-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
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
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 CNR1 27/4885MEN1 3264/4885KMT2A 2923/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CNR1 27/4885MEN1 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.