SCHEMBL2270340

SCHEMBL2270340

Cc1cc(N2CCC(N)CC2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
KDR P35968 2/20 0.46
AKT2 P31751 4/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HTR3E A5X5Y0 1/20 0.41
MEN1 O00255 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR3A P46098 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SSTR2 P30874 1/20 0.41
KIT P10721 1/20 0.41
GSK3B P49841 1/20 0.41
AKT1 P31749 2/20 0.40

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
SCHEMBL29442361 1.00 CHEK1 (0.48) CHEK1KDRAKT2HRH3HTR3E
Hydrochloric Acid SCHEMBL16684751 0.98 CHEK1 (0.47) CHEK1KDRAKT2HRH3HTR3E
Hydrochloric Acid SCHEMBL2270339 0.98 CHEK1 (0.47) CHEK1KDRAKT2HRH3HTR3E
SCHEMBL15114895 0.84 LMNA (0.49) MEN1ALOX15TSHRKMT2AHRH4
SCHEMBL11981591 0.83 SMO (0.46) CYP1A2TSHRHRH4
SCHEMBL5889046 0.81 CHEK1 (0.52) CHEK1KDRAKT2HRH3HTR3E
SCHEMBL15114891 0.80 MAP4K4 (0.49) HRH4
SCHEMBL803812 0.80 HRH4 (0.56) HRH3HRH4
SCHEMBL11981553 0.80 SMN1; SMN2 (0.50) HRH3TSHRHRH4
SCHEMBL15114915 0.80 SMN1; SMN2 (0.46) HRH3CYP1A2TSHRHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-07-17 US disclosed
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-17 US disclosed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
WO-2015138689-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-09-17 WO disclosed
WO-2015066696-A1 FUSED MORPHLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
WO-2015066696-A1 FUSED MORPHLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
CN-103025724-A Piperidine derivatives HOFFMANN LA ROCHE 2013-04-03 CN disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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 (4 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-10023565-B2 N,N′ substituted piperidinamine compounds, and preparation method and usage thereof HSP90AB1, HSP90AB2P, HSF1 CHEK1 4342/4885KDR 3914/4885AKT2 1745/4885
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MYB, MYBBP1A, MYCBP CHEK1 1721/4885KDR 2975/4885AKT2 2005/4885
US-20160333002-A1 N, N' SUBSTITUTED PIPERIDINAMINE COMPOUNDS, AND PREPARATION METHOD AND USAGE THEREOF HSP90AB1, HSP90AB2P, HSF1 CHEK1 4330/4885KDR 3959/4885AKT2 1777/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 CHEK1 4545/4885KDR 585/4885AKT2 3048/4885

“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.