SCHEMBL9681267

SCHEMBL9681267

CC(C)NOCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
MMP2 P08253 2/20 0.61
KMT2A Q03164 3/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
INPPL1 O15357 1/20 0.39
GAA P10253 1/20 0.39
APP P05067 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9682048 0.82 RAB9A (0.49) CA1CA2CA9MMP2IDO1
SCHEMBL9100976 0.79 TSHR (0.46) IDO1AGXTRAB9AALDH1A1SLC6A2
SCHEMBL7051068 0.76 IDO1 (0.56) CA1CA2CA9MMP2KMT2A
Isopropylamine SCHEMBL10616106 0.74 CA1 (0.55) CA1CA2CA9MMP2KMT2A
SCHEMBL10819594 0.72 IDO1 (0.52) CA1CA2CA9MMP2IDO1
SCHEMBL8345050 0.71 CA1 (0.56) CA1CA2CA9MMP2KMT2A
SCHEMBL12376670 0.71 SMN1; SMN2 (0.54) CA1CA2CA9MMP2KMT2A
SCHEMBL28452339 0.69 IDO1 (0.48) CA1CA2CA9MMP2IDO1
SCHEMBL20079980 0.69 IDO1 (0.48) CA1CA2CA9MMP2KMT2A
SCHEMBL12153202 0.69 HTT (0.53) CA1CA2CA9MMP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS RESEARCH TRIANGLE INSTITUTE 2020-01-30 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
EP-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP 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 (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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E CA1 2814/4885CA2 2184/4885CA9 862/4885
US-20200030287-A1 PROLINE-BASED NEUROPEPTIDE FF RECEPTOR MODULATORS NPFFR1, NPFFR2, NPBWR1 CA1 3182/4885CA2 3561/4885CA9 4597/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 CA1 4255/4885CA2 3239/4885CA9 2405/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CA1 2245/4885CA2 410/4885CA9 493/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 CA1 3182/4885CA2 3561/4885CA9 4597/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE CA1 908/4885CA2 1714/4885CA9 972/4885

“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.