Sugi Predict

Sugi Predict / Compounds / SCHEMBL5856697

SCHEMBL5856697

SCHEMBL5856697

CC(C)[C@@H](CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 5/20 0.58
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ DRD4 P21917 6/20 0.50
▸ FAAH O00519 1/20 0.48
▸ SLC6A12 P48065 1/20 0.48
▸ SLC6A13 Q9NSD5 1/20 0.48
▸ AKT1 P31749 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SIGMAR1 Q99720 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
SCHEMBL5745139 0.89 CCR3 (0.62) CCR3KMT2AFAAHMEN1SIGMAR1
SCHEMBL5745142 0.89 CCR3 (0.62) CCR3KMT2AFAAHMEN1SIGMAR1
SCHEMBL5854299 0.86 CCR3 (0.75) CCR3KMT2AFAAHMCHR1MEN1
SCHEMBL5740928 0.86 CCR3 (0.75) CCR3KMT2AFAAHMCHR1MEN1
SCHEMBL5743465 0.85 CCR3 (0.58) CCR3KMT2AFAAHMCHR1MEN1
SCHEMBL5743463 0.85 CCR3 (0.58) CCR3KMT2AFAAHMCHR1MEN1
Hydrochloric Acid SCHEMBL3936111 0.85 CCR3 (0.74) CCR3KMT2AFAAHMCHR1MEN1
Hydrochloric Acid SCHEMBL6734201 0.85 CCR3 (0.74) CCR3KMT2AFAAHMCHR1MEN1
Hydrochloric Acid SCHEMBL6734198 0.85 CCR3 (0.74) CCR3KMT2AFAAHMCHR1MEN1
Hydrochloric Acid SCHEMBL3936105 0.85 CCR3 (0.74) CCR3KMT2AFAAHMCHR1MEN1

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 6 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
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-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
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 (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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 CCR3 1/4885KMT2A 2923/4885NPC1 730/4885

“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.