SCHEMBL5584754

SCHEMBL5584754

O=C(C1CCCCC1)N(CCN1CC[C@@H](c2ccc3ccccc3c2)C1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.61
DRD4 P21917 7/20 0.61
ADRA1A P35348 6/20 0.61
ADRA1B P35368 5/20 0.61
HTR7 P34969 3/20 0.61
HTR2B P41595 3/20 0.61
HTR2A P28223 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
ADRA1D P25100 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
HTR1B P28222 1/20 0.55
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
OPRM1 P35372 1/20 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
SCHEMBL8297142 1.00 HTR1A (0.61) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8297143 1.00 HTR1A (0.61) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8302917 0.95 HTR1A (0.60) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8299047 0.92 HTR1A (0.57) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8302029 0.88 HTR1A (0.64) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8299009 0.88 HTR1A (0.57) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8296419 0.86 HTR1A (0.63) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8298210 0.86 HTR1A (0.64) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8300541 0.85 HTR1A (0.63) HTR1ADRD4ADRA1AADRA1BHTR7
SCHEMBL8303266 0.84 HTR1A (0.61) HTR1ADRD4ADRA1AADRA1BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP claimed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO claimed
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
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885DRD4 42/4885ADRA1A 27/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885DRD4 42/4885ADRA1A 27/4885

“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.