SCHEMBL5584921

SCHEMBL5584921

CSc1ccc(C2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HTR2C P28335 9/20 0.52
QDPR P09417 1/20 0.47
HTR3A P46098 1/20 0.44
KHK P50053 1/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
Hydrochloric Acid SCHEMBL4505629 0.98 SLC18A3 (0.53) SLC18A3SIGMAR1HTR2CQDPRHTR3A
SCHEMBL12045772 0.85 ESR2 (0.45) SLC6A2SLC6A4
SCHEMBL22340516 0.79 SLC18A3 (0.50) SLC18A3SIGMAR1HTR2CQDPRHTR3A
SCHEMBL8483087 0.79 ALDH1A1 (0.46) SLC6A2SLC6A4
SCHEMBL5584940 0.78 HTR2C (0.62) SLC18A3SIGMAR1HTR2CQDPRKHK
SCHEMBL13906346 0.78 ESR2 (0.59) SLC6A2SLC6A4
SCHEMBL82406 0.77 SLC18A3 (0.61) SLC18A3SIGMAR1HTR2CQDPRHTR3A
SCHEMBL4676148 0.76 SLC18A3 (0.67) SLC18A3SIGMAR1HTR2CQDPRHTR3A
SCHEMBL8317126 0.76 NISCH (0.37) SLC6A2SLC6A4
SCHEMBL20840966 0.76 ESR2 (0.59) SLC18A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
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
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 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 SLC18A3 162/4885SIGMAR1 50/4885HTR2C 9/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC18A3 162/4885SIGMAR1 50/4885HTR2C 9/4885

“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.