SCHEMBL8349643

SCHEMBL8349643

CCCc1ccc(F)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DAO P14920 1/20 0.50
SKP2 Q13309 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP13 P45452 1/20 0.41
DHODH Q02127 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 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
Hydrochloric Acid SCHEMBL28490180 0.96 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAOSKP2
SCHEMBL10304852 0.88 SKP2 (0.61) SLC6A2SLC6A4SLC6A3DAOSKP2
SCHEMBL19309413 0.84 HTR2A (0.53) SLC6A2SLC6A4SLC6A3DAOSKP2
SCHEMBL9921243 0.83 DAO (0.50) SLC6A2SLC6A4SLC6A3DAOSKP2
SCHEMBL23903966 0.83 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3DAOTP53
SCHEMBL6953517 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DAOPTGS1
SCHEMBL530305 0.82 CNR1 (0.48) DAOCNR1CNR2NPC1TP53
SCHEMBL16950793 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAOPTGS1
Ammonia Solution, Strong SCHEMBL6193068 0.80 CNR1 (0.47) DAOCNR1CNR2NPC1TP53
SCHEMBL17971122 0.79 ESR1 (0.54) SLC6A2SLC6A4SLC6A3DAOPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021179274-A1 ErbB RECEPTOR INHIBITORS AS ANTI-TUMOR AGENTS SUZHOU ZANRONG PHARMA LTD. (CN) 2021-09-16 WO disclosed
WO-2020139960-A1 GALECTIN-3 INHIBITING C-GLYCOSIDES GLYCOMIMETICS, INC (US) 2020-07-02 WO disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-7462611-B2 inhibitor of HCV NS5B polymerase; to treat infections caused by hepatitis C virus; 3-(1,1-Dioxo-1,4-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1-(3-methyl-butyl)-pyrrolo[1,2-b]pyridazin-2-one ANADYS PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
WO-2008051637-A2 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
WO-2007150001-A1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2007-12-27 WO disclosed
WO-2003101382-A2 COMPOUNDS USEFUL IN THE TREATMENT OF ANTHRAX AND INHIBITING LETHAL FACTOR MERCK & CO., INC. (US) 2003-12-11 WO 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 SLC6A2 278/4885SLC6A4 208/4885SLC6A3 224/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK SLC6A2 677/4885SLC6A4 1386/4885SLC6A3 2219/4885

“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.