SCHEMBL241551

SCHEMBL241551

FC(F)(F)C1CC[N]CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44

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
SCHEMBL126920 0.82
SCHEMBL1028934 0.82
SCHEMBL1031650 0.82
SCHEMBL18060 0.75
SCHEMBL1035408 0.75 NOS3 (0.36) NOS3NOS1NOS2
Ammonia Solution, Strong SCHEMBL3055814 0.72
SCHEMBL15641746 0.69 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL554737 0.69
SCHEMBL15184 0.69
SCHEMBL241078 0.69 EPHX1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572278-B Genipin derivative and preparation method and application thereof 北京志道生物科技有限公司 2023-09-01 CN claimed
CN-115572278-A Genipin derivative and preparation method and application thereof 北京志道生物科技有限公司 2023-01-06 CN claimed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US claimed
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP claimed
EP-1885349-B1 Sulphamides for treatment of cancer MERCK SHARP & DOHME (GB) 2016-03-09 EP claimed
US-9265770-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US claimed
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS CHAI WENYING (US) 2016-02-18 US claimed
US-9150545-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-06 US claimed
US-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 US claimed
WO-2003087064-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2003-10-23 WO claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO claimed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 NOS3 1038/4885NOS1 1063/4885NOS2 1523/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NOS3 126/4885NOS1 256/4885NOS2 119/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOS3 267/4885NOS1 465/4885NOS2 225/4885
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 NOS3 1038/4885NOS1 1063/4885NOS2 1523/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOS3 267/4885NOS1 465/4885NOS2 225/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NOS3 17/4885NOS1 29/4885NOS2 12/4885

“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.