SCHEMBL5584924

SCHEMBL5584924

Cc1csc(C2CCNCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
PLAT P00750 1/20 0.41
PLG P00747 3/20 0.39
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
QDPR P09417 1/20 0.35

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
Piperidine SCHEMBL27520549 0.93 HTR2C (0.41) HTR2CGABRA1GABRG2GABRB3PLAT
SCHEMBL19419561 0.85
SCHEMBL12539165 0.74 PLG (0.41) PLGTHRBMEN1KMT2AQDPR
SCHEMBL27543710 0.72 GABRA1 (0.40) HTR2CGABRA1GABRG2GABRB3PLAT
SCHEMBL15219312 0.72 HRH1 (0.42) HTR2CPLATHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27547477 0.71 GABRA1 (0.39) HTR2CGABRA1GABRG2GABRB3PLAT
SCHEMBL27859489 0.68 EPHX1 (0.38) HTR2CGABRA1GABRG2GABRB3PLAT
Hydrochloric Acid SCHEMBL9079121 0.68 MEN1 (0.55) HTR2CGABRA1GABRG2GABRB3PLAT
SCHEMBL29261836 0.68
SCHEMBL5584603 0.68 HTR2C (0.66) HTR2CSLC18A3SIGMAR1MAPTTHRB

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 7 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
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 HTR2C 9/4885GABRA1 410/4885GABRG2 1689/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885GABRA1 410/4885GABRG2 1689/4885

“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.