SCHEMBL508384

SCHEMBL508384

CCN1CCN(c2ccnc(-c3nc(N)sc3C(=O)OC)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ USP2 O75604 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 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
SCHEMBL509103 0.89 WNT1 (0.37) ALDH1A1HSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL509096 0.89 HRH4 (0.48) ALDH1A1HSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL510340 0.88 PIK3CD (0.39) ALDH1A1MAPTSMN1; SMN2KMT2ATP53
SCHEMBL509450 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTSMN1; SMN2ROCK2
SCHEMBL510233 0.85 PIK3CA (0.47) ALDH1A1HSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL13329922 0.85 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2KMT2ATP53
SCHEMBL10170683 0.82 HRH3 (0.40) ALDH1A1HSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL510040 0.77 WNT1 (0.37) ALDH1A1HSD17B10MAPTSMN1; SMN2PIK3CD
SCHEMBL509504 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL13330280 0.75 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2APIK3CD

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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US disclosed
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
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 — — 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 (2 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 ALDH1A1 119/4885HSD17B10 2750/4885MAPT 2953/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 ALDH1A1 609/4885HSD17B10 4495/4885MAPT 2680/4885

“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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