SCHEMBL5584815

SCHEMBL5584815

Cn1ccc2ccc(C3CCNCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.46
HTR2C P28335 8/20 0.45
HTR1D P28221 2/20 0.44
KHK P50053 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TLR9 Q9NR96 3/20 0.40
TLR8 Q9NR97 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
CHRNA7 P36544 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL17683262 0.89 HTR1D (0.49) QDPRHTR1DCYP2A6SLC6A4CHRNA7
SCHEMBL23442948 0.88 SLC6A2 (0.49) QDPRHTR2CKHKCYP2A6SLC6A2
SCHEMBL29891558 0.88 SLC6A2 (0.49) QDPRHTR2CKHKCYP2A6SLC6A2
SCHEMBL5584813 0.81 HTR1D (0.44) QDPRHTR1DCYP2A6SLC6A4CHRNA7
SCHEMBL19868927 0.80 CYP2A6 (0.44) HTR1DCYP2A6SLC6A4CHRNA7
SCHEMBL19868758 0.78 CYP2A6 (0.42) QDPRHTR1DCYP2A6SLC6A4CHRNA7
SCHEMBL19868840 0.77 CHRNA7 (0.41) QDPRHTR1DCYP2A6TLR9TLR8
SCHEMBL19868759 0.77 HTR1D (0.43) QDPRHTR1DCYP2A6SLC6A4CHRNA7
SCHEMBL29341275 0.76 PDE1C (0.46) QDPRHTR2CKHKSLC18A3SIGMAR1
SCHEMBL30701109 0.75 PRKCI (0.52) QDPRHTR1DCYP2A6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885HTR2C 9/4885HTR1D 2/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885HTR2C 9/4885HTR1D 2/4885

“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.