SCHEMBL6997610

SCHEMBL6997610

CN1CCN(C(=O)N2CCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA2 P00918 1/20 0.50
CHKA P35790 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL3437018 0.97 ALDH1A1 (0.75) ALDH1A1CYP1A2TDP1MEN1KMT2A
SCHEMBL22273305 0.95 ALDH1A1 (0.67) ALDH1A1CYP1A2TDP1MEN1KMT2A
SCHEMBL5470776 0.92 CYP1A2 (0.65) ALDH1A1CYP1A2TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL15209250 0.89 CYP1A2 (0.62) ALDH1A1CYP1A2TDP1MEN1KMT2A
SCHEMBL13779904 0.84 CYP1A2 (0.56) ALDH1A1CYP1A2TDP1KMT2AHTT
SCHEMBL3954333 0.83 ALDH1A1 (0.87) ALDH1A1MEN1KMT2ACA2CHKA
SCHEMBL413020 0.83 ALDH1A1 (0.87) ALDH1A1MEN1KMT2ACA2CHKA
SCHEMBL21732986 0.82 CYP1A2 (0.54) ALDH1A1CYP1A2TDP1HTTLMNA
SCHEMBL15223851 0.82 CYP1A2 (0.85) ALDH1A1CYP1A2TDP1HTTNPSR1
SCHEMBL4195133 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56127369-A None JP disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
WO-2023093832-A1 TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2023-06-01 WO disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-8399488-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-03-19 US disclosed
US-8399488-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-03-19 US disclosed
US-20120122850-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-05-17 US disclosed
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-4420481-A RHEUMATOID ARTHRITIS MITSUITOATSU CHEMICALS INC. (JP) 1983-12-13 US disclosed
JP-S56127369-A NEVEL PIPERAZINE COMPOUND, ITS PREPARATION AND UTILIZATION MITSUI TOATSU CHEM INC 1981-10-06 JP 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-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 ALDH1A1 1522/4885CYP1A2 308/4885TDP1 4518/4885
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 ALDH1A1 1522/4885CYP1A2 308/4885TDP1 4518/4885
US-20120122850-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 ALDH1A1 1522/4885CYP1A2 308/4885TDP1 4518/4885

“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.