SCHEMBL510340

SCHEMBL510340

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ RAD52 P43351 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MRGPRX1 Q96LB2 2/20 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
▸ MCHR1 Q99705 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HRH3 Q9Y5N1 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
SCHEMBL510040 0.89 WNT1 (0.37) PIK3CDPIK3CAMAPTSMN1; SMN2TRPV1
SCHEMBL509504 0.89 ALDH1A1 (0.47) KDM4EMAPTSMN1; SMN2KMT2ATRPV1
SCHEMBL508384 0.88 ALDH1A1 (0.39) PIK3CDPIK3CAKDM4EMAPTSMN1; SMN2
SCHEMBL509579 0.87 EIF2AK4 (0.39) PIK3CDPIK3CAKDM4EMAPTSMN1; SMN2
SCHEMBL508635 0.86 PIK3CA (0.48) PIK3CDPIK3CAKDM4EMAPTSMN1; SMN2
SCHEMBL13329922 0.85 ALDH1A1 (0.43) PIK3CDPIK3CAKDM4EMAPTSMN1; SMN2
SCHEMBL10170691 0.82 CYP1A2 (0.40) SMN1; SMN2KMT2AALDH1A1USP2CYP1A2
SCHEMBL509103 0.77 WNT1 (0.37) PIK3CDPIK3CAMAPTSMN1; SMN2KMT2A
SCHEMBL509096 0.76 HRH4 (0.48) KDM4EMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL510233 0.75 PIK3CA (0.47) PIK3CDPIK3CAMAPTSMN1; SMN2KMT2A

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 PIK3CD 1473/4885PIK3CA 1191/4885KDM4E 3919/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 PIK3CD 1719/4885PIK3CA 1368/4885KDM4E 2849/4885

“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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