SCHEMBL15314569

SCHEMBL15314569

CN1CCC(NC(=O)N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ACHE P22303 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RX4 Q99571 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
SCHEMBL359763 0.89 DRD2 (0.41) DRD2
SCHEMBL20377850 0.83 CA1 (0.45) DRD2CA1CA2ACHEALDH1A1
SCHEMBL2051051 0.83
SCHEMBL18380886 0.83 CA1 (0.45) DRD2CA1CA2ACHEALDH1A1
SCHEMBL18193485 0.82 DRD2 (0.39) DRD2CA1CA2ACHE
SCHEMBL13888863 0.82 SSTR4 (0.41) DRD2KDM4EALDH1A1P2RX4
SCHEMBL12706448 0.79 CA1 (0.40) DRD2CA1CA2ACHE
SCHEMBL10205129 0.79 DRD2 (0.40) DRD2ALDH1A1
SCHEMBL18705052 0.79 ALDH1A1 (0.50) DRD2ALDH1A1
SCHEMBL20328135 0.79 EPHX1 (0.50) DRD2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 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 (2 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF DRD2 2385/4885CA1 3573/4885CA2 2652/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 DRD2 3642/4885CA1 4784/4885CA2 4290/4885

“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.