SCHEMBL12005138

SCHEMBL12005138

Cc1cccnc1-c1c(-c2ccccc2)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.44
CCR1 P32246 2/20 0.41
CCR8 P51685 2/20 0.41
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CCR5 P51681 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
METAP2 P50579 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL12005378 0.83 LMNA (0.47) CYP2A6CCR1CCR8CYP3A4L3MBTL1
SCHEMBL17014652 0.80 CYP2A6 (0.50) CYP2A6KMT2AMEN1NPC1RAB9A
SCHEMBL12006024 0.79 CYP3A4 (0.42) CYP2A6CCR1CCR8CYP3A4L3MBTL1
SCHEMBL12914230 0.76 KDM4E (0.45) CYP2A6CCR1CCR8CYP3A4L3MBTL1
SCHEMBL29985883 0.76 CYP2A6 (0.53) CYP2A6KMT2AMEN1NPC1RAB9A
SCHEMBL21159958 0.76 MAPT (0.44) CYP3A4L3MBTL1KMT2AMEN1KDM4E
SCHEMBL12006262 0.75 CYP1A2 (0.36) CYP2A6KDM4ENPSR1ALDH1A1CYP1A2
SCHEMBL31419878 0.75 CYP2A6 (0.66) CYP2A6KMT2AMEN1KDM4ERAB9A
SCHEMBL29986300 0.75 CYP2A6 (0.66) CYP2A6KMT2AMEN1KDM4ERAB9A
SCHEMBL17589450 0.75 CYP2A6 (0.50) CYP2A6CCR1CCR8L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822696-B2 Ligand for asymmetric synthesis catalyst, and process for production of alpha-alkenyl cyclic compound using the same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-09-02 US disclosed
US-20120220780-A1 LIGAND FOR ASYMMETRIC SYNTHESIS CATALYST, AND PROCESS FOR PRODUCTION OF ALPHA-ALKENYL CYCLIC COMPOUND USING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-08-30 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 (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-20120220780-A1 LIGAND FOR ASYMMETRIC SYNTHESIS CATALYST, AND PROCESS FOR PRODUCTION OF ALPHA-ALKENYL CYCLIC COMPOUND USING SAME OR10J3, COASY, ACKR3 CYP2A6 1580/4885CCR1 65/4885CCR8 239/4885

“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.