SCHEMBL3538518

SCHEMBL3538518

CCc1ccc(C2CCCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
PDE10A Q9Y233 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADCY1 Q08828 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL8008806 0.98 HRH3 (0.42) CYP1A2CYP2D6HRH3PDE10APOLB
SCHEMBL12151773 0.91 PDE10A (0.43) CYP1A2CYP2D6HRH3PDE10AL3MBTL1
SCHEMBL15447630 0.84 HRH3 (0.40) CYP1A2CYP2D6HRH3PDE10AL3MBTL1
SCHEMBL13548276 0.84 CTSK (0.43) CYP1A2HRH3L3MBTL1CTSKCTSS
SCHEMBL13179354 0.83 PDE10A (0.40) CYP1A2CYP2D6HRH3PDE10AL3MBTL1
SCHEMBL21447803 0.83 PDE10A (0.39) CYP1A2CYP2D6HRH3PDE10AL3MBTL1
SCHEMBL22920033 0.82 CYP19A1 (0.39) L3MBTL1KDM4ESMN1; SMN2CYP19A1
SCHEMBL20401118 0.82 L3MBTL1 (0.38) PDE10AL3MBTL1KDM4ESMN1; SMN2IDO1
SCHEMBL20400983 0.82 MERTK (0.42) L3MBTL1KDM4ESMN1; SMN2IDO1CYP19A1
SCHEMBL13490624 0.81 HRH3 (0.45) CYP1A2CYP2D6HRH3PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1680325-B Preparation of pyridine derivatives FUJIFILM FINE CHEMICALS CO LTD 2011-05-25 CN disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 US disclosed
EP-1559711-B1 PREPARATION OF PYRIDINE DERIVATIVES USING PYRIMIDINIUM DERIVATIVES AS INTERMEDIATES FUJIFILM FINECHEMICALS CO LTD (JP) 2008-06-25 EP disclosed
EP-1559711-B1 PREPARATION OF PYRIDINE DERIVATIVES USING PYRIMIDINIUM DERIVATIVES AS INTERMEDIATES FUJIFILM FINECHEMICALS CO LTD (JP) 2008-06-25 EP disclosed
CN-1680325-A Preparation of pyridine derivatives SANKIO CHEMICAL CO LTD (JP) 2005-10-12 CN disclosed
US-20050171355-A1 Pyridine derivative production method SANKIO CHEMICAL CO., LTD. 2005-08-04 US disclosed
EP-1559711-A1 PREPARATION OF PYRIDINE DERIVATIVES USING PYRIMIDINIUM DERIVATIVES AS INTERMEDIATES Sankio Chemical Co., Ltd. (JP) 2005-08-03 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 (1 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-20050171355-A1 Pyridine derivative production method CPS1, NAT1, ACMSD CYP1A2 342/4885CYP2D6 270/4885HRH3 1132/4885

“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.