SCHEMBL614756

SCHEMBL614756

O=C1CCN(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
CYP2C19 P33261 1/20 0.48
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTR1A P08908 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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 0.87 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL6663539 0.80
SCHEMBL10498542 0.80 LMNA (0.70) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL8196604 0.78 LMNA (0.36) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL31629205 0.78 LMNA (0.51) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL9873444 0.78 ALDH1A1 (0.49) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL20138339 0.77 KDM4E (0.52) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL20244719 0.77 POLB (0.36) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL12490138 0.77 GPR119 (0.42) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL12490123 0.77 GPR119 (0.43) KDM4EALDH1A1LMNACYP2C19USP2

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US disclosed
US-6350775-B1 AGAINST GRAMPOSITIVE BACTERIA ZENECA LIMITED (GB) 2002-02-26 US disclosed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed
US-6110936-A A BACTERICIDE TREATING A BACTERIAL INFECTION IN A WARM BLOODED ANIMAL ZENECA LIMITED (GB) 2000-08-29 US disclosed
EP-0912561-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 1999-05-06 EP disclosed
WO-1997043280-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-11-20 WO disclosed
US-4751305-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-06-14 US disclosed
US-4748246-A INTERLEUKIN ANTAGONISTS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 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 (5 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA KDM4E 2674/4885ALDH1A1 4771/4885LMNA 3086/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3983/4885ALDH1A1 1811/4885LMNA 3488/4885
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS KDM4E 502/4885ALDH1A1 505/4885LMNA 697/4885
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A KDM4E 19/4885ALDH1A1 187/4885LMNA 1196/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS KDM4E 502/4885ALDH1A1 505/4885LMNA 697/4885

“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.