Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496934

SCHEMBL4496934

SCHEMBL4496934

O=c1nc(NCC2(F)CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DRD2 P14416 14/20 0.36
▸ DRD4 P21917 14/20 0.36
▸ DRD3 P35462 14/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ DRD1 P21728 1/20 0.35

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
SCHEMBL4501990 0.78 MEN1 (0.42) MEN1KMT2AGFERLMNAALDH1A1
SCHEMBL4489181 0.74 MEN1 (0.47) MEN1KMT2AGFERLMNAALDH1A1
SCHEMBL4490517 0.73 KDM1A (0.38) LMNAALDH1A1HTTTSHRHTR2A
Hydrochloric Acid SCHEMBL4496092 0.72 KDM1A (0.38) LMNAALDH1A1HTTTSHRHTR2A
SCHEMBL4488299 0.71 USP1 (0.45) —
SCHEMBL4502303 0.70 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL4500591 0.69 ALDH1A1 (0.48) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL4485568 0.69 ALDH1A1 (0.56) LMNAALDH1A1HTTNPC1CYP1A2
SCHEMBL4500070 0.68 CXCR4 (0.53) LMNAALDH1A1DRD2DRD4OPRM1
SCHEMBL4490825 0.67 LMNA (0.46) MEN1KMT2ALMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 — — US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 — — US disclosed
EP-1505067-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-09 — — 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-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 MEN1 4549/4885KMT2A 4002/4885GFER 4149/4885

“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.