SCHEMBL4417329

SCHEMBL4417329

CNCc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TACR1 P25103 3/20 0.52
LTA4H P09960 1/20 0.49
KIF11 P52732 2/20 0.46
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GAA P10253 1/20 0.41
GCGR P47871 1/20 0.41
HTR2A P28223 4/20 0.40
KCNH2 Q12809 4/20 0.40
F10 P00742 1/20 0.40
HTR7 P34969 1/20 0.39
BACE1 P56817 1/20 0.39
CASR P41180 2/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38

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
SCHEMBL13675366 0.81 KIF11 (0.50) TACR1KIF11FFAR1FFAR4GAA
SCHEMBL22910539 0.81 ALDH1A1 (0.51) SLC6A4SLC6A2SLC6A3TACR1LTA4H
SCHEMBL2395131 0.80 KCNJ5 (0.49) SLC6A4SLC6A2SLC6A3TACR1KIF11
SCHEMBL417693 0.80 LTA4H (0.55) SLC6A4SLC6A2SLC6A3TACR1LTA4H
SCHEMBL5198493 0.79 PDK2 (0.53) TACR1KIF11FFAR1FFAR4GAA
SCHEMBL8281063 0.79 LTA4H (0.50) SLC6A4SLC6A2SLC6A3LTA4HFFAR1
SCHEMBL18014699 0.78 KIF11 (0.47) SLC6A4SLC6A2SLC6A3TACR1KIF11
SCHEMBL9295043 0.77 DPP4 (0.62) TACR1KIF11FFAR1FFAR4HTR7
SCHEMBL22910534 0.77 LTA4H (0.53) SLC6A4SLC6A2SLC6A3LTA4HKCNH2
SCHEMBL5199432 0.77 KIF11 (0.50) TACR1KIF11FFAR1FFAR4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 SLC6A4 841/4885SLC6A2 830/4885SLC6A3 802/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SLC6A4 841/4885SLC6A2 830/4885SLC6A3 802/4885

“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.