SCHEMBL4673773

SCHEMBL4673773

c1ccc2c(C3CC[N]CC3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.51
DRD2 P14416 1/20 0.51
MTNR1A P48039 2/20 0.47
KDM1A O60341 1/20 0.47
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
IDO1 P14902 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1B P49286 1/20 0.37
FAAH O00519 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G6 O60733 1/20 0.37
GMNN O75496 1/20 0.37

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
SCHEMBL30477104 0.86 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL248440 0.86 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL3968194 0.82 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL497994 0.82 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL30032791 0.80 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL168782 0.80 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL4047901 0.80 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL9038101 0.79 SLC6A4 (0.43) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL7648248 0.78 SLC6A4 (0.53) SLC6A4DRD2MTNR1AKDM1ASLC6A2
Pyrimidine SCHEMBL28899765 0.78 SLC6A4 (0.49) SLC6A4DRD2MTNR1AKDM1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
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
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 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 SLC6A4 10/4885DRD2 62/4885MTNR1A 64/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A4 10/4885DRD2 62/4885MTNR1A 64/4885

“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.