SCHEMBL6816643

SCHEMBL6816643

Fc1ccc2c(C3CCNCC3)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.55
SLC6A4 P31645 9/20 0.55
SLC6A3 Q01959 8/20 0.55
HTR1A P08908 6/20 0.55
IDO1 P14902 1/20 0.51
HTR6 P50406 5/20 0.48
HTR2C P28335 4/20 0.45

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
SCHEMBL16776632 0.89 IDO1 (0.54) SLC6A2SLC6A4SLC6A3HTR1AIDO1
SCHEMBL20328108 0.84 IDO1 (0.54) SLC6A2SLC6A4SLC6A3HTR1AIDO1
Hydrochloric Acid SCHEMBL29586373 0.83 IDO1 (0.52) SLC6A2SLC6A4SLC6A3HTR1AIDO1
SCHEMBL19284609 0.81 HTR2C (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL30735659 0.81 HTR2C (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL30735591 0.81 HTR2C (0.56) HTR6HTR2C
SCHEMBL19297231 0.81 HTR2C (0.56) HTR6HTR2C
Hydrochloric Acid SCHEMBL19284700 0.80 HTR2C (0.54) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL2710242 0.80 HTR2C (0.56) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL30368566 0.80 HTR2C (0.56) SLC6A2SLC6A4SLC6A3HTR1AHTR6

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 SLC6A2 2418/4885SLC6A4 1958/4885SLC6A3 3425/4885

“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.