SCHEMBL63849

SCHEMBL63849

CCN1CCN(c2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPT P10636 6/20 0.60
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 1/20 0.59
POLB P06746 2/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RAD52 P43351 1/20 0.54
GFER P55789 1/20 0.54
CHRNA7 P36544 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL7793462 0.93 MAPT (0.55) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL4652187 0.88 DRD2 (0.61) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL63447 0.85 MAPT (0.60) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL5787289 0.84 MAPT (0.59) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL1305549 0.82 CHRNA7 (0.62) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL1482373 0.82 KMT2A (0.59) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL65696 0.82 ALDH1A1 (0.71) ALDH1A1MAPTTSHRSMN1; SMN2POLB
SCHEMBL20897465 0.82 ALDH1A1 (0.71) ALDH1A1MAPTTSHRSMN1; SMN2HTT
SCHEMBL2951325 0.82 ALDH1A1 (0.71) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL64815 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146176-B GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-11-15 CN disclosed
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-1254124-B1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2008-07-30 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070191392-A1 DIPEPTIDE NITRILE CATHESPIN K INHIBITORS NORVARTIS AG (CH) 2007-08-16 US disclosed
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors NORVARTIS AG (CH) 2005-12-01 US disclosed
US-6642239-B2 Compounds such as N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(piperazin-1-yl)-benzamide NOVARTIS AG (CH) 2003-11-04 US disclosed
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors MISSBACH MARTIN (CH) 2003-10-30 US disclosed
EP-1254124-A1 DIPEPTIDE NITRILE CATHPSIN K INHIBITORS Novartis AG (CH) 2002-11-06 EP disclosed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US disclosed
WO-2001058886-A1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2001-08-16 WO 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 (10 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 ALDH1A1 78/4885MAPT 2665/4885TSHR 3669/4885
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS ALDH1A1 2798/4885MAPT 4707/4885TSHR 3453/4885
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSL, CTSV ALDH1A1 2814/4885MAPT 4670/4885TSHR 2008/4885
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS ALDH1A1 2798/4885MAPT 4707/4885TSHR 3453/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885MAPT 3418/4885TSHR 4034/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 87/4885MAPT 3682/4885TSHR 3013/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 37/4885MAPT 4043/4885TSHR 3921/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885MAPT 3418/4885TSHR 4034/4885
US-20070191392-A1 DIPEPTIDE NITRILE CATHESPIN K INHIBITORS CTSL, CTSK, CTSC ALDH1A1 3551/4885MAPT 4822/4885TSHR 2525/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885MAPT 3418/4885TSHR 4034/4885

“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.