SCHEMBL6285963

SCHEMBL6285963

O=C(CCc1ccccc1)N1CCCCC1

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.96
TDP1 Q9NUW8 1/20 0.96
NAAA Q02083 1/20 0.79
FKBP1A P62942 1/20 0.71
POLB P06746 2/20 0.67
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
PKM P14618 1/20 0.66
STAT1 P42224 1/20 0.66
RAB9A P51151 1/20 0.66
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ME2 P23368 1/20 0.61
ME1 P48163 1/20 0.61
ME3 Q16798 1/20 0.61
GFER P55789 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL17087869 1.00 NPC1 (0.96) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL3700679 0.98 NPC1 (1.00) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL25432319 0.95 NPC1 (0.93) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL7131839 0.91 NPC1 (0.86) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL10371234 0.90 NPC1 (0.78) NPC1TDP1NAAAKMT2AMEN1
SCHEMBL16333764 0.88 NAAA (1.00) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL7376148 0.88 NPC1 (0.76) NPC1TDP1NAAAKMT2AMEN1
SCHEMBL8599293 0.88 NPC1 (0.81) NPC1TDP1NAAAKMT2AMEN1
SCHEMBL3796874 0.84 NPC1 (0.75) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL4698272 0.83 NPC1 (0.73) NPC1TDP1NAAAFKBP1APOLB

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 16 patents. 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
CN-107108468-A Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2017-08-29 CN claimed
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof NOVARTIS AG (CH) 2023-04-06 US disclosed
US-20220111367-A1 HYDROGENATION CATALYST FOR USE IN HYDROGENATING AMIDE COMPOUND AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME OSAKA UNIVERSITY (JP) 2022-04-14 US disclosed
CN-112299938-B Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-12-28 CN disclosed
CN-112299938-A Method for preparing amine compound by reducing amide compound 中国科学院兰州化学物理研究所 2021-02-02 CN disclosed
CN-108602787-A The inhibitor of arginine porphyromonas mycoproteinase 库特克希米公司 2018-09-28 CN disclosed
CN-107108468-A Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2017-08-29 CN disclosed
US-8557798-B2 Macrocyclic heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 US disclosed
CN-1019973-C Piperidine derivative and pharmaceutical composition containing the same EISAI CO LTD (JP) 1993-03-03 CN disclosed
CN-87100928-A Piperidine derivatives and pharmaceutical compositions thereof 1987-09-09 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 (4 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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ NPC1 4529/4885TDP1 2527/4885NAAA 4870/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 NPC1 116/4885TDP1 1116/4885NAAA 2591/4885
US-20220111367-A1 HYDROGENATION CATALYST FOR USE IN HYDROGENATING AMIDE COMPOUND AND METHOD FOR PRODUCING AMINE COMPOUND USING SAME SUV39H2, SUV39H1, HRH3 NPC1 4484/4885TDP1 3043/4885NAAA 15/4885
US-20230108325-A1 Pyrazolopyridine Derivatives and Uses thereof HBZ, ZFX, WIZ NPC1 4529/4885TDP1 2527/4885NAAA 4870/4885

“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.