SCHEMBL5609745

SCHEMBL5609745

CC[N]c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
PLAU P00749 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8750708 0.79 TDP1 (0.40) ACHETDP1HTR3EHTR3BHTR3A
SCHEMBL1735291 0.76 NOS3 (0.44) TDP1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4607389 0.76 NOS1 (0.44) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL6385307 0.76 NOS3 (0.44) ACHESLC22A2SLC22A1SLC22A3PLAU
SCHEMBL98201 0.76 NOS3 (0.45) ACHETDP1NOS3NOS1NOS2
SCHEMBL8767212 0.76 PLAU (0.52) TDP1PLAUCYP2C9NPC1MAPT
SCHEMBL7794055 0.75 SCN5A (0.44) ACHETDP1HTR3EHTR3BHTR3A
SCHEMBL53706 0.74
SCHEMBL10216090 0.74 NPC1 (0.43) ACHETDP1HTR3EHTR3BHTR3A
SCHEMBL7789999 0.72 HTR3E (0.43) ACHETDP1HTR3EHTR3BHTR3A

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-4132436-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1979-01-02 US claimed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 US claimed
CN-114353991-A Temperature-sensitive color-changing indicator 江苏集萃智能液晶科技有限公司 2022-04-15 CN disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
EP-0385120-B2 Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes SUMITOMO CHEMICAL CO (JP) 2005-06-15 EP disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0101665-A2 Reactive dyestuffs of the dioxazine series, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-29 EP disclosed
EP-0073178-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-02 EP disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4275148-A THIO SUBSTITUTED PYRAZOLINES AS MAGENTA COUPLERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-06-23 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4132436-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1979-01-02 US disclosed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 ACHE 4307/4885TDP1 465/4885HTR3E 1343/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ACHE 4074/4885TDP1 4798/4885HTR3E 3781/4885

“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.