SCHEMBL82422

SCHEMBL82422

Cc1ccc(CCN2CCCC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.67
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 1/20 0.65
HRH1 P35367 1/20 0.46
EPHX2 P34913 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL15198045 0.98 CYP1A2 (0.68) HRH3CYP1A2CYP2D6HRH1EPHX2
SCHEMBL15198042 0.97 HRH3 (0.62) HRH3CYP1A2CYP2D6HRH1EPHX2
SCHEMBL15198044 0.93 HRH3 (0.57) HRH3CYP1A2CYP2D6
SCHEMBL25782607 0.90 HRH3 (0.55) HRH3CYP1A2CYP2D6HRH1L3MBTL1
SCHEMBL15759178 0.89 CYP1A2 (0.56) HRH3CYP1A2CYP2D6HRH1L3MBTL1
SCHEMBL13257862 0.85 HRH3 (0.50) HRH3CYP1A2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL18595229 0.85 HRH3 (0.50) HRH3CYP1A2CYP2D6HRH1TDP1
SCHEMBL12894384 0.82 HRH3 (0.53) HRH3CYP1A2CYP2D6SMN1; SMN2
SCHEMBL12064 0.81 HRH3 (0.55) HRH3CYP1A2CYP2D6SMN1; SMN2
SCHEMBL13990825 0.80 HRH3 (1.00) HRH3CYP1A2CYP2D6EPHX2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
EP-2493889-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-06 EP disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-9511060-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2016-12-06 US disclosed
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE 2016-06-02 US disclosed
US-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 US disclosed
US-7598392-B2 2-amido-4-phenylthiazole derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2009-10-06 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 US disclosed
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2007-11-08 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 (5 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HRH3 3986/4885CYP1A2 95/4885CYP2D6 79/4885
US-20070259847-A1 2-Amido-4-phenylthiazole Derivatives, The Preparation And The Therapeutic Use Thereof PKD2, TPMT, PKD1 HRH3 724/4885CYP1A2 277/4885CYP2D6 21/4885
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF SLC33A1, CHLSN, APOB HRH3 358/4885CYP1A2 2659/4885CYP2D6 3339/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 1893/4885CYP1A2 754/4885CYP2D6 1257/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HRH3 3902/4885CYP1A2 530/4885CYP2D6 595/4885

“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.