SCHEMBL3014047

SCHEMBL3014047

O=C1CCCN(c2ncccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.38
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 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
SCHEMBL21047625 0.88 KDM4E (0.44) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL21047722 0.79 GRIN2D (0.57) KDM4EUSP2ALDH1A1MAPTCYP2C19
SCHEMBL5411181 0.76 GAA (0.44) ALDH1A1LMNAMAPTCYP2C19CYP1A2
SCHEMBL28572986 0.75 KDM4E (0.42) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL614756 0.75 KDM4E (0.52) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL14637293 0.75 MAPT (0.48) ALDH1A1LMNAMAPTCYP2C19CYP1A2
SCHEMBL18228600 0.74 KDM4E (0.60) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL2168776 0.74 KDM4E (0.60) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL3339822 0.74 KDM4E (0.60) KDM4EUSP2POLBALDH1A1LMNA
SCHEMBL28112869 0.73 KDM4E (0.55) KDM4EUSP2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
US-20100203039-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2010-08-12 US disclosed
US-7700624-B2 3-aminocyclopentanecrboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-04-20 US disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 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-20100203039-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 KDM4E 3931/4885USP2 3974/4885POLB 3655/4885
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors CCR5, CCR2, ACKR3 KDM4E 4093/4885USP2 4055/4885POLB 3304/4885
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS KDM4E 502/4885USP2 3596/4885POLB 1414/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KDM4E 502/4885USP2 3596/4885POLB 1414/4885

“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.