SCHEMBL5584715

SCHEMBL5584715

[NH][C]1CCC(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.52
SIGMAR1 Q99720 1/20 0.52
GRIN2B Q13224 4/20 0.46
SRD5A1 P18405 1/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ADRA1A P35348 2/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL20010634 0.81 SLC18A3 (0.52) SLC18A3SIGMAR1GRIN2BSRD5A1GAA
SCHEMBL41763 0.79
SCHEMBL190417 0.79 SLC18A3 (0.67) SLC18A3SIGMAR1GRIN2BPOLBGAA
Hydrogen Peroxide SCHEMBL2353767 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BTSHRHPGD
Hydrochloric Acid SCHEMBL29241797 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BGAAMAPT
Benzene SCHEMBL23070411 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BPOLBGAA
Ammonia Solution, Strong SCHEMBL3932661 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BPOLBGAA
SCHEMBL9253267 0.76 SLC18A3 (0.52) SLC18A3SIGMAR1GRIN2BSRD5A1GAA
SCHEMBL28813917 0.76 SLC18A3 (0.52) SLC18A3SIGMAR1GRIN2BSRD5A1DRD2
SCHEMBL7363078 0.76 ESR2 (0.63) SLC18A3SIGMAR1GRIN2BSRD5A1DRD2

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 SLC18A3 162/4885SIGMAR1 50/4885GRIN2B 158/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC18A3 162/4885SIGMAR1 50/4885GRIN2B 158/4885

“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.