SCHEMBL3961646

SCHEMBL3961646

CC1(C)CC(CCN)CC(C)(C)N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.35
RECQL P46063 1/20 0.31
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6701258 0.85 TSHR (0.39) TSHRGAARECQLKDM4ELMNA
SCHEMBL98369 0.85 SIGMAR1 (0.42) TSHRGAA
SCHEMBL4870534 0.83 SIGMAR1 (0.45) TSHRGAALMNA
SCHEMBL1080792 0.80 GAA (0.33) TSHRGAARECQLKDM4ELMNA
SCHEMBL10430410 0.78 TSHR (0.36) TSHRGAARECQLKDM4ELMNA
SCHEMBL10621109 0.78 TSHR (0.36) TSHRGAARECQLKDM4ELMNA
SCHEMBL16749055 0.78 GAA (0.43) TSHRGAARECQLKDM4ELMNA
SCHEMBL818726 0.78 TSHR (0.36) TSHRGAARECQLKDM4ELMNA
SCHEMBL21256556 0.77 ALPL (0.31)
SCHEMBL10952050 0.76 TSHR (0.36) TSHRGAARECQLKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172413-A2 Process for producing piperidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-26 EP claimed
CN-111253368-B Stable nitroxide radical modified naphthalimide compound and application thereof 沈阳药科大学 2020-12-25 CN disclosed
CN-101309918-B [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases LILLY CO ELI 2010-12-29 CN disclosed
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US disclosed
CN-101309918-A [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases LILLY CO ELI (US) 2008-11-19 CN disclosed
EP-1989200-A2 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELI LILLY AND COMPANY (US) 2008-11-12 EP disclosed
WO-2007092095-A2 [4-(BENZO [B] THI0PHEN-2-YL) PYRIMIDIN-2YL] -AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES. ELI LILLY AND COMPANY (US) 2007-08-16 WO disclosed
US-5049604-A Heat, oxidation and light resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-17 US disclosed
US-4731393-A TRIAZINYL DERIVATIVES OF PIPERIDINE CIBA-GEIGY CORPORATION (US) 1988-03-15 US disclosed
EP-0172413-A2 Process for producing piperidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-26 EP disclosed
US-4481315-A LACQUERS CIBA-GEIGY CORPORATION (US) 1984-11-06 US disclosed
EP-0101411-A2 Process for the chemical bond between a stabilising compound and a polymer CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
EP-0010516-B1 POLYALKYLPIPERIDINE DERIVATIVES, THEIR APPLICATION AS LIGHT STABILISERS AND POLYMERS STABILISED THEREWITH CIBA-GEIGY AG (CH) 1982-07-14 EP disclosed
US-4289686-A FOR LACQUERS CIBA-GEIGY CORPORATION (US) 1981-09-15 US disclosed
US-4286014-A CHAIN EXTENDER COMPRISING HYDRAZINE OR DERIVATIVE TORAY INDUSTRIES, INCORPORATED (JP) 1981-08-25 US disclosed
US-4234707-A Polymeric light stabilizers for plastics CIBA-GEIGY CORPORATION (US) 1980-11-18 US disclosed
US-4028334-A STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1977-06-07 US disclosed
US-3937711-A POLYMERIC STABILIZERS, POLYOLEFINS CIBA-GEIGY CORPORATION (US) 1976-02-10 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 (1 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG TSHR 4012/4885GAA 3041/4885RECQL 3711/4885

“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.