SCHEMBL3315944

SCHEMBL3315944

CC1Cc2ccccc2C1NC1CN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 3/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 1/20 0.35
SOAT1 P35610 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
GRM7 Q14831 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
DRD4 P21917 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL3316638 0.76 GRM7 (0.43) MTNR1AMTNR1BGRM7HRH3
SCHEMBL3316278 0.72 MAOA (0.49) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3313291 0.72 CCR2 (0.40) TAS1R3TAS1R1TAS1R2CYP3A4CYP2C19
SCHEMBL2464636 0.72 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2464634 0.72 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL7445852 0.72 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2466133 0.72 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL599611 0.72 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL3320680 0.70 MTNR1A (0.54) MTNR1AMTNR1BSIGMAR1HRH3
SCHEMBL3320952 0.70 HTT (0.56) TAS1R3TAS1R1TAS1R2MEN1CYP1A2

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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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 (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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 TAS1R3 686/4885TAS1R1 607/4885TAS1R2 714/4885

“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.