SCHEMBL14270958

SCHEMBL14270958

C[C@@H]1COCCN1c1cc(N2CCC(F)CC2)cc(N2CCN(c3ncc(C(N)=O)cc3Cl)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MTOR P42345 9/20 0.41
▸ ATR Q13535 5/20 0.37
▸ ATRIP Q8WXE1 5/20 0.37
▸ CHEK1 O14757 4/20 0.37
▸ PDCD1 Q15116 4/20 0.37
▸ CD274 Q9NZQ7 4/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL14297604 1.00 CXCR3 (0.42) CXCR3MAPTMTORATRATRIP
SCHEMBL14270947 0.85 MAPT (0.48) CXCR3MAPTP2RY12
SCHEMBL14297602 0.84 CXCR3 (0.44) CXCR3MTORATRATRIPCHEK1
SCHEMBL14294734 0.84 CXCR3 (0.44) CXCR3MTORATRATRIPCHEK1
SCHEMBL14270941 0.84 CXCR3 (0.44) CXCR3MTORATRATRIPCHEK1
SCHEMBL14270938 0.84 CXCR3 (0.44) CXCR3MTORATRATRIPCHEK1
SCHEMBL14270959 0.81 PIK3CA (0.41) MTORATRPIK3CA
SCHEMBL14270945 0.81 PIK3CA (0.41) MTORATRPIK3CA
SCHEMBL14294643 0.81 PIK3CA (0.41) MTORATRPIK3CA
SCHEMBL14270943 0.80 LCK (0.39) CXCR3MAPTMTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 — — US 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-20080045525-A1 Piperazinyl-Pyridine Analogues PRLHR, GPR27, GPR68 CXCR3 1017/4885MAPT 3839/4885MTOR 1783/4885

“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.

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