SCHEMBL18547313

SCHEMBL18547313

O=C(O)C(c1ccccc1)C1CNC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.53
SLC6A3 Q01959 5/20 0.53
SLC6A2 P23975 4/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
LMNA P02545 4/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTR1E P28566 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPK1 P28482 1/20 0.42
GBA1 P04062 1/20 0.41
CHRM3 P20309 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
SCHEMBL31066542 0.86 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL18547184 0.86 SLC6A2 (0.47) SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL27410776 0.83 CPN1 (0.49) SLC6A4SLC6A3SLC6A2LMNAMEN1
SCHEMBL66920 0.82 LMNA (0.54) CYP2D6SRCLMNAMEN1MAPT
SCHEMBL13114874 0.81 CACNA2D1 (0.50) SLC6A4SLC6A3SLC6A2LMNAMEN1
Hydrochloric Acid SCHEMBL11359974 0.80 LMNA (0.53) CYP2D6SRCLMNAMEN1MAPT
SCHEMBL67619 0.78 HTR1E (0.60) SLC6A3SLC6A2CYP2D6LMNAMEN1
SCHEMBL69127 0.78 HTR1E (0.65) SLC6A3SLC6A2CYP2D6LMNAMEN1
SCHEMBL28622389 0.78 HTR1E (0.65) SLC6A3SLC6A2CYP2D6LMNAMEN1
SCHEMBL17844351 0.77 CYP2D6 (0.43) SLC6A3CYP2D6SRCLMNAMEN1

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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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 (3 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 SLC6A4 2021/4885SLC6A3 2983/4885SLC6A2 3285/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 SLC6A4 2015/4885SLC6A3 2980/4885SLC6A2 3256/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 SLC6A4 2015/4885SLC6A3 2980/4885SLC6A2 3256/4885

“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.