SCHEMBL12474

SCHEMBL12474

COCCN(C)Cc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.50
KCNH2 Q12809 1/20 0.49
LTA4H P09960 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.41
BRAF P15056 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
AKT1 P31749 1/20 0.40
MAOB P27338 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PIK3CD O00329 1/20 0.39

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
SCHEMBL3151763 0.83 LTA4H (0.47) PYCR1KCNH2LTA4HTSHRMEN1
SCHEMBL1239426 0.83 KDM4E (0.59) PYCR1LTA4HTSHRKDM4EBRAF
SCHEMBL16549287 0.83 MEN1 (0.52) PYCR1LTA4HTSHRMEN1KMT2A
SCHEMBL615516 0.82 TSHR (0.65) LTA4HTSHRSMN1; SMN2CARM1PRMT6
SCHEMBL12449593 0.80 SIGMAR1 (0.47) PYCR1KCNH2LTA4HTSHRMEN1
SCHEMBL26012094 0.80 LTA4H (0.45) KCNH2LTA4HTSHRACHEBRAF
SCHEMBL29109904 0.80 LTA4H (0.45) PYCR1KCNH2LTA4HTSHRKDM4E
SCHEMBL3044715 0.79 TSHR (0.45) PYCR1LTA4HTSHRBRAFSMN1; SMN2
SCHEMBL14174811 0.79 CYP2D6 (0.54) LTA4HTSHRACHEKDM4EMAOB
SCHEMBL16299564 0.79 KCNH2 (0.55) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 WO disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP 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 (3 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA PYCR1 2639/4885KCNH2 1571/4885LTA4H 2402/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 PYCR1 1276/4885KCNH2 4169/4885LTA4H 313/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB PYCR1 1853/4885KCNH2 3243/4885LTA4H 570/4885

“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.