SCHEMBL7054029

SCHEMBL7054029

CCCOc1ccc(F)cc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.50
HTR1A P08908 7/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
HTR3A P46098 4/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SLC6A3 Q01959 2/20 0.45
ADRB1 P08588 1/20 0.43
DRD2 P14416 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL6610425 0.89 SLC6A2 (0.50) HTR6HTR1ASLC6A2SLC6A4HTR3A
SCHEMBL7255537 0.83 HTR3E (0.68) HTR6HTR1AHTR3AHTR3EHTR3B
SCHEMBL6927912 0.82 HTR1A (0.64) HTR6HTR1ASLC6A2SLC6A4HTR3A
Hydrochloric Acid SCHEMBL7302055 0.81 LMNA (0.65) HTR6HTR1ASLC6A2SLC6A4HTR3A
SCHEMBL2873088 0.81 HTR3E (0.68) HTR6HTR1ASLC6A2SLC6A4HTR3A
SCHEMBL6777684 0.81 ADRA1D (0.48) HTR6HTR1ASLC6A2SLC6A4HTR3A
SCHEMBL5269642 0.80 DRD2 (0.54) HTR1ASLC6A4DRD2CYP2C19DRD3
Hydrochloric Acid SCHEMBL27465755 0.80 LMNA (0.67) HTR6HTR1ASLC6A2SLC6A4HTR3A
SCHEMBL6194097 0.77 SLC6A2 (0.52) HTR6HTR1ASLC6A2SLC6A4HTR3A
SCHEMBL5414291 0.77 HTR1A (0.49) HTR6HTR1ASLC6A2SLC6A4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E HTR6 38/4885HTR1A 1/4885SLC6A2 182/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C HTR6 20/4885HTR1A 1/4885SLC6A2 191/4885

“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.