SCHEMBL954044

SCHEMBL954044

FC1(F)CCN(CCCl)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SIGMAR1 Q99720 3/20 0.33

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 SCHEMBL1866093 0.98 HRH3 (0.37) HRH3NOS3NOS1NOS2SIGMAR1
SCHEMBL2957084 0.86 CYP3A4 (0.31) HRH3
SCHEMBL31370616 0.84 HRH3 (0.45) HRH3NOS3NOS1NOS2SIGMAR1
Hydrochloric Acid SCHEMBL1877995 0.84 CYP3A4 (0.30)
Hydrochloric Acid SCHEMBL4363063 0.84 HRH3 (0.45) HRH3NOS3NOS1NOS2SIGMAR1
SCHEMBL29979002 0.77 HRH3 (0.39) HRH3NOS3NOS1NOS2SIGMAR1
SCHEMBL738008 0.75 HRH3 (0.41) HRH3NOS3NOS1NOS2SIGMAR1
Bromide SCHEMBL21715256 0.75 HRH3 (0.38) HRH3NOS3NOS1NOS2SIGMAR1
SCHEMBL5151766 0.75 KDM4E (0.41) HRH3NOS3NOS1NOS2SIGMAR1
SCHEMBL1255097 0.75 ALOX15 (0.57) HRH3NOS3NOS1NOS2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192183-A Benzodiazepines class of compounds and uses thereof 中国药科大学 2024-12-27 CN disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
CN-101679348-A 5-pyridone substituted indazoles AMR TECHNOLOGY INC 2010-03-24 CN disclosed
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 CN disclosed
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 CN 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 (3 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 HRH3 842/4885NOS3 561/4885NOS1 1319/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 HRH3 4615/4885NOS3 1525/4885NOS1 1375/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 HRH3 154/4885NOS3 713/4885NOS1 836/4885

“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.