SCHEMBL6986104

SCHEMBL6986104

Cc1ccc2ccccc2c1C1NCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.52
GAA P10253 1/20 0.49
GID4 Q8IVV7 1/20 0.46
RECQL P46063 1/20 0.46
MAOA P21397 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A1 O15245 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL11948857 0.87 PRCP (0.55) PRCPGAAGID4RECQLMAOA
SCHEMBL11948841 0.85 PRCP (0.47) PRCPGAAGID4RECQLMAOA
SCHEMBL11948844 0.84 PRCP (0.46) PRCPGAAGID4RECQLMAOA
SCHEMBL11948846 0.83 GID4 (0.57) PRCPGAAGID4RECQLMAOA
SCHEMBL4120535 0.83 PRCP (0.50) PRCPGAAGID4RECQLMAPT
SCHEMBL11948845 0.82 GID4 (0.56) PRCPGAAGID4RECQLMAOA
SCHEMBL11948843 0.79 OPRM1 (0.44) PRCPGAAGID4MAOAMAPT
SCHEMBL11948855 0.79 PRCP (0.48) PRCPGAAGID4RECQLMAOA
SCHEMBL2676256 0.79 PRCP (0.59) PRCPGAAGID4RECQLMAPT
SCHEMBL4399590 0.78 GAA (0.54) PRCPGAAGID4RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 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-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OGFR, OR10J3, OPRL1 PRCP 3913/4885GAA 4883/4885GID4 3717/4885

“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.