SCHEMBL2180269

SCHEMBL2180269

CN(C)CCCNc1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42
APOBEC3A P31941 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL2033568 0.88 CYP2C19 (0.42) RAB9APOLBDRD3KDM4ELMNA
SCHEMBL2179578 0.81 NPC1 (0.46) RAB9ANPC1POLBACHEMAPT
SCHEMBL29264927 0.80 S100A4 (0.39) RAB9ANPC1POLBKMT2ADRD3
SCHEMBL2170344 0.80 ALDH1A1 (0.64) RAB9ANPC1POLBSLC2A1APOBEC3A
SCHEMBL6293434 0.79 NPC1 (0.42) RAB9ANPC1POLBSLC2A1APOBEC3A
SCHEMBL21388439 0.78 MAPT (0.61) RAB9ANPC1POLBSLC2A1APOBEC3A
SCHEMBL25228454 0.78 MAPT (0.43) ALDH1A1MAPT
SCHEMBL1356625 0.78 ALDH1A1 (0.43) POLBRAD52LMNAALDH1A1MAPT
SCHEMBL694336 0.78 MAPT (0.43) RAB9ADRD3KDM4EL3MBTL1LMNA
SCHEMBL29264912 0.78 ICMT (0.41) RAB9ADRD3KDM4ELMNACYP1A2

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
CN-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
CN-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN disclosed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 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 (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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 RAB9A 3233/4885NPC1 28/4885POLB 254/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR RAB9A 4134/4885NPC1 1594/4885POLB 312/4885

“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.