SCHEMBL6900904

SCHEMBL6900904

CC(C)C(C)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
FDPS P14324 2/20 0.35
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
KCNA5 P22460 2/20 0.32
CYP2C19 P33261 2/20 0.32
KCNH2 Q12809 2/20 0.32
KCNE1 P15382 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL23733535 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL20376044 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL13417397 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL24928122 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL12259536 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
Bromide SCHEMBL15157311 0.97 SMN1; SMN2 (0.39) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL15157543 0.97 SMN1; SMN2 (0.39) SMN1; SMN2FDPSCYP1A2CYP3A4CYP2D6
SCHEMBL13256071 0.97 SMN1; SMN2 (0.38) SMN1; SMN2FDPS
SCHEMBL13417351 0.97 SMN1; SMN2 (0.38) SMN1; SMN2FDPS
SCHEMBL12257624 0.97 SMN1; SMN2 (0.38) SMN1; SMN2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US claimed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US claimed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-11779912-B2 Synthesis and characterization of Ru alkylidene complexes UMICORE AG & CO. KG (DE) 2023-10-10 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US disclosed
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 US disclosed
US-8324200-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2011-09-01 US disclosed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 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 (11 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 SMN1; SMN2 3460/4885FDPS 1015/4885CYP1A2 130/4885
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ SMN1; SMN2 564/4885FDPS 1720/4885CYP1A2 2997/4885
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions TRPV1, TRPV2, TRPV3 SMN1; SMN2 3552/4885FDPS 828/4885CYP1A2 1798/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SMN1; SMN2 2763/4885FDPS 1533/4885CYP1A2 2611/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885FDPS 804/4885CYP1A2 4411/4885
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 SMN1; SMN2 2/4885FDPS 3404/4885CYP1A2 3778/4885
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD SMN1; SMN2 2055/4885FDPS 1578/4885CYP1A2 2991/4885
US-11779912-B2 Synthesis and characterization of Ru alkylidene complexes PORCN, ORC3, COASY SMN1; SMN2 3604/4885FDPS 31/4885CYP1A2 130/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ SMN1; SMN2 564/4885FDPS 1720/4885CYP1A2 2997/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS SMN1; SMN2 3555/4885FDPS 313/4885CYP1A2 4764/4885
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 SMN1; SMN2 468/4885FDPS 1885/4885CYP1A2 985/4885

“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.