SCHEMBL2168291

SCHEMBL2168291

C[C@H](NCc1ccccc1Cl)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.67
LMNA P02545 3/20 0.61
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.49
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR1A P08908 2/20 0.49
SLC6A2 P23975 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2B P41595 2/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SMPD1 P17405 1/20 0.49

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
SCHEMBL4074646 1.00 CASR (0.67) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28846531 0.84 HTT (0.55) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23754499 0.84 HTT (0.55) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29864910 0.83 MEN1 (0.68) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23754498 0.83 MEN1 (0.68) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23754506 0.83 MEN1 (0.68) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2471237 0.81 LMNA (0.64) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7637536 0.80 MEN1 (0.72) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7637533 0.80 MEN1 (0.72) CASRLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3678237 0.80 MEN1 (0.54) CASRLMNAMEN1KMT2ASMN1; SMN2

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
CN-102177132-B Optically active vinylcyclopropanecarboxylic acid derivative and method for producing optically active vinylcyclopropaneamino acid derivative KANEGAFUCHI CHEMICAL IND 2014-06-25 CN disclosed
US-20110245529-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VINYLCYCLOPROPANECARBOXYLIC ACID DERIVATIVE AND OPTICALLY ACTIVE VINYLCYCLOPROPANEAMINO ACID DERIVATIVE KANEKA CORPORATION (JP) 2011-10-06 US disclosed
EP-2345633-A1 OPTICALLY ACTIVE VINYL-CYCLOPROPANE CARBOXYLIC ACID DERIVATIVE AND OPTICALLY ACTIVE VINYL-CYCLOPROPANE AMINO ACID DERIVATIVE MANUFACTURING METHOD Kaneka Corporation (JP) 2011-07-20 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-20110245529-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VINYLCYCLOPROPANECARBOXYLIC ACID DERIVATIVE AND OPTICALLY ACTIVE VINYLCYCLOPROPANEAMINO ACID DERIVATIVE ALAD, AMD1, ADCY5 CASR 2832/4885LMNA 1841/4885MEN1 3348/4885

“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.