SCHEMBL7541164

SCHEMBL7541164

NCCn1nnnc1[C@@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
SLC6A2 P23975 10/20 0.40
SLC6A3 Q01959 10/20 0.40
SLC6A4 P31645 9/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GRM2 Q14416 1/20 0.36
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL3707997 0.85 GHSR (0.46) CNR2SLC6A2SLC6A3SLC6A4
SCHEMBL3703214 0.85 GHSR (0.46) CNR2SLC6A2SLC6A3SLC6A4
SCHEMBL3703216 0.85 GHSR (0.46) CNR2SLC6A2SLC6A3SLC6A4
SCHEMBL3700170 0.82 CNR2 (0.43) CNR2ALDH1A1TAAR1GRM2GAA
Trifluoroacetic Acid SCHEMBL8924050 0.78 GHSR (0.51) GAA
SCHEMBL8933294 0.73 ALDH1A1 (0.45) SLC6A2SLC6A3SLC6A4ALDH1A1POLB
SCHEMBL6601160 0.73 ALDH1A1 (0.45) SLC6A2SLC6A3SLC6A4ALDH1A1POLB
SCHEMBL5799815 0.70 ALDH1A1 (0.68) SLC6A2SLC6A3SLC6A4ALDH1A1POLB
SCHEMBL3698838 0.69 CYP1A2 (0.42) CNR2ALDH1A1TAAR1GRM2CYP19A1
SCHEMBL17887234 0.66 ACP3 (0.51) SLC6A2SLC6A3SLC6A4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CNR2 80/4885SLC6A2 837/4885SLC6A3 2024/4885

“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.