SCHEMBL6311570

SCHEMBL6311570

Fc1ccc2cc(C3CCNCC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.51
HTR2C P28335 8/20 0.47
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
HTR1A P08908 2/20 0.46
KCNH2 Q12809 1/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TNKS O95271 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 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
SCHEMBL13093264 0.90 SLC6A2 (0.50) QDPRSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL2707542 0.81 SLC18A3 (0.59) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL240518 0.81 HTR2C (0.62) QDPRHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29688235 0.80 SLC18A3 (0.57) QDPRHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2799671 0.80 SLC18A3 (0.57) QDPRHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL377800 0.79 HTR2C (0.63) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL7968419 0.79 QDPR (0.61) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL7966782 0.79 HTR2C (0.64) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL378006 0.78 HTR2C (0.62) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL19003055 0.78 MPO (0.46) QDPRHTR2CSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-6784180-B2 INHIBITING THE REUPTAKE OF SEROTONIN AND ANTAGONIZING THE 5-HT1A RECEPTOR; AS ANTIDEPRESSANT OR TO POTENTIATE EFFECTS OF ANOTHER SSRI ELI LILLY AND COMPANY 2004-08-31 US disclosed
EP-1250336-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2004-05-12 EP disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
US-20030225281-A1 Piperidines derivatives and their use as serotonin receptor antagonists ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-1250336-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046179-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 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 (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-20030225281-A1 Piperidines derivatives and their use as serotonin receptor antagonists HTR1A, HTR1D, HTR5A QDPR 156/4885HTR2C 7/4885SLC6A2 123/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F QDPR 571/4885HTR2C 52/4885SLC6A2 394/4885

“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.