SCHEMBL5584699

SCHEMBL5584699

C1=C(c2cc3ccccc3s2)CC[N]C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP19A1 P11511 1/20 0.38
KDM1A O60341 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NQO1 P15559 1/20 0.37
NQO2 P16083 1/20 0.37
IKBKB O14920 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KCNH2 Q12809 2/20 0.35
ERN1 O75460 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
SCHEMBL4359750 0.72 SIGMAR1 (0.50) APPCHRM2CHRM4CHRM5CHRM1
SCHEMBL4131004 0.72 APP (0.41) APPCHRM2CHRM4CHRM5CHRM1
SCHEMBL29732980 0.71 APP (0.63) APPCHRM2CHRM4CHRM5CHRM1
SCHEMBL845603 0.71 APP (0.63) APPCHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8321976 0.71 HTR2C (0.51) APP
SCHEMBL11880744 0.70 QDPR (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5584837 0.69 NISCH (0.42) HSD17B1HSD17B2CYP19A1CYP2A6
SCHEMBL5584876 0.69 RAB9A (0.46) CYP19A1CA1CA2CA9
SCHEMBL240095 0.68 SIGMAR1 (0.42)
SCHEMBL2149612 0.67 APP (0.59) APPCHRM2CHRM4CHRM5CHRM1

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 6 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
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

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 APP 3058/4885CHRM2 250/4885CHRM4 272/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A APP 3058/4885CHRM2 250/4885CHRM4 272/4885

“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.