SCHEMBL4488299

SCHEMBL4488299

CC(C)(C)OC(=O)N1CCC(F)(CNc2nc(=O)c3ccccc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.45
CYP11B2 P19099 1/20 0.42
PARP1 P09874 9/20 0.41
TNKS O95271 3/20 0.41
TNKS2 Q9H2K2 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.39
DTYMK P23919 1/20 0.39
NAMPT P43490 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL4514765 0.81 KDM4E (0.53) PARP1
SCHEMBL4497501 0.78 KDM4E (0.45) NAMPT
SCHEMBL4497494 0.78 PKM (0.44) USP1BCHENAMPT
Hydrochloric Acid SCHEMBL4496092 0.76 KDM1A (0.38) CHRM1CHRM3BCHE
SCHEMBL4496934 0.71 MEN1 (0.46)
SCHEMBL12286193 0.69 JAK1 (0.42) NAMPT
SCHEMBL31637172 0.69 STS (0.41)
SCHEMBL8115847 0.68 TACR1 (0.52) USP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL19995685 0.68 KDM1A (0.54)
SCHEMBL4502102 0.68 KDM4E (0.55) PARP1BCHE

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 USP1 979/4885CYP11B2 2777/4885PARP1 1431/4885

“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.