SCHEMBL5584946

SCHEMBL5584946

CCc1cc(C2CCNCC2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.47
HTR2C P28335 5/20 0.46
P2RX7 Q99572 1/20 0.45
TLR9 Q9NR96 4/20 0.44
TLR8 Q9NR97 4/20 0.44
TLR7 Q9NYK1 4/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR3A P46098 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42

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
SCHEMBL18617811 0.91 CYP2D6 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL22672875 0.82 HTR2C (0.51) QDPRHTR2CTLR9TLR8TLR7
SCHEMBL2711302 0.79 SLC6A2 (0.64) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL5584982 0.78 SLC6A2 (0.58) QDPRHTR2CTLR9TLR8TLR7
Hydrochloric Acid SCHEMBL2160176 0.78 SLC6A2 (0.62) QDPRHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL25556657 0.77 QDPR (0.47) QDPRHTR2CTLR9TLR8TLR7
SCHEMBL27812469 0.75 CYP2D6 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL20672052 0.75 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12643109 0.75 P2RX7 (0.47) QDPRHTR2CP2RX7SLC6A2SLC6A4
SCHEMBL31342377 0.75 QDPR (0.51) QDPRHTR2CP2RX7TLR9TLR8

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 4 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
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

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 9/4885P2RX7 475/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885HTR2C 9/4885P2RX7 475/4885

“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.