SCHEMBL91655

SCHEMBL91655

CN1CCN(C2(C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12774146 0.91 GAA (0.32)
SCHEMBL14079926 0.88 NPSR1 (0.34)
SCHEMBL14079925 0.88 NPSR1 (0.31)
SCHEMBL10519854 0.87
SCHEMBL29329020 0.86 NPSR1 (0.37)
SCHEMBL14079927 0.86 NPSR1 (0.37)
SCHEMBL14079928 0.86 NPSR1 (0.37)
SCHEMBL14079934 0.82 KDM4E (0.35)
SCHEMBL2084825 0.82 PHGDH (0.32)
SCHEMBL19293363 0.82

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200433-A1 Molecular Chaperone Function Regulator MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-20070265260-A1 Quinazoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-11-15 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 US disclosed
US-7294629-B2 Quinazoline derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-11-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 CYP1A2 3174/4885TDP1 2827/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 CYP1A2 1039/4885TDP1 4867/4885
US-20070265260-A1 Quinazoline derivatives TYK2, ROR1, JAK1 CYP1A2 2781/4885TDP1 1537/4885
US-20080200433-A1 Molecular Chaperone Function Regulator HSPBP1, HSF1, HSPH1 CYP1A2 4023/4885TDP1 2597/4885

“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.