SCHEMBL10170683

SCHEMBL10170683

CCN1CCN(c2ccnc(-c3nc(N)sc3C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP1A2 P05177 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ USP2 O75604 3/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ KIT P10721 5/20 0.37
▸ FLT3 P36888 5/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ RAD52 P43351 2/20 0.37

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
SCHEMBL10170684 0.87 HRH4 (0.38) HRH3HRH4SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL10170681 0.86 HRH4 (0.56) HRH3HRH4CYP1A2ALDH1A1USP2
SCHEMBL10170691 0.86 CYP1A2 (0.40) HRH3SMN1; SMN2CYP1A2ALDH1A1USP2
SCHEMBL10170679 0.85 CXCR4 (0.42) HRH3HRH4SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL10170680 0.83 CYP1A2 (0.53) HRH3HRH4SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL508384 0.82 ALDH1A1 (0.39) HRH3SMN1; SMN2CYP1A2ALDH1A1USP2
SCHEMBL27901036 0.75 HRH3 (0.69) HRH3HRH4SMN1; SMN2GAARAD52
SCHEMBL10170690 0.74 CYP1A2 (0.38) HRH4CYP1A2ALDH1A1USP2HSD17B10
SCHEMBL10170689 0.72 CYP1A2 (0.54) HRH3HRH4CYP1A2ALDH1A1USP2
SCHEMBL509103 0.71 WNT1 (0.37) HRH3HRH4SMN1; SMN2CYP1A2ALDH1A1

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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR HRH3 1206/4885HRH4 744/4885SMN1; SMN2 3554/4885

“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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