SCHEMBL16664112

SCHEMBL16664112

COC(=O)c1ccc(CNC[C@H](OCc2ccc(CCc3ccc(Cl)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
DRD2 P14416 3/20 0.45
TBXA2R P21731 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
BCHE P06276 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL16664056 0.97 NPC1 (0.55) NPC1RAB9ACHRNB2CHRNA4DRD2
SCHEMBL16664061 0.93 CA1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16664057 0.93 CA1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16663991 0.93 CA1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16664113 0.92 NPC1 (0.59) NPC1RAB9ACHRNB2CHRNA4DRD2
SCHEMBL20837701 0.91 RAB9A (0.55) NPC1RAB9ADRD2TBXA2RMEN1
SCHEMBL16663998 0.90 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16664060 0.87 CA1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16663996 0.87 CA1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16663995 0.87 CA1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 EP disclosed
US-9714213-B2 4-aminomethylbenzoic acid derivative TOA EIYO LTD. (JP) 2017-07-25 US disclosed
US-9714213-B2 4-aminomethylbenzoic acid derivative TOA EIYO LTD. (JP) 2017-07-25 US disclosed
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD. (JP) 2016-09-15 US disclosed
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD. (JP) 2016-09-15 US disclosed
EP-3059224-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA Eiyo Ltd. (JP) 2016-08-24 EP disclosed
WO-2015056663-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE トーアエイヨー株式会社 2015-04-23 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-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE ALDH7A1, CYP2B6, CYP2A6 NPC1 2584/4885RAB9A 1074/4885CHRNB2 4469/4885

“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.