SCHEMBL5584941

SCHEMBL5584941

Cc1ccsc1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.47
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NISCH Q9Y2I1 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
Tert-Butyl Formate SCHEMBL27804890 0.84 HTR2C (0.39) HTR2CGABRA1GABRG2GABRB3KDM4E
SCHEMBL17376309 0.77 HTR2C (0.51) HTR2CGABRA1GABRG2GABRB3SLC18A3
SCHEMBL7504353 0.73 HTR2C (0.52) HTR2CGABRA1GABRG2GABRB3SLC18A3
SCHEMBL29865934 0.72 GABRA1 (0.43) HTR2CGABRA1GABRG2GABRB3SLC18A3
SCHEMBL4206522 0.70 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTHTT
Hydrochloric Acid SCHEMBL31247929 0.70 PTPN2 (0.39) HTR2CGABRA1GABRG2GABRB3SLC18A3
SCHEMBL24233856 0.70 CHRM2 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL17863658 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL16512976 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3009065 0.69 ALDH1A1 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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 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.