SCHEMBL2000100

SCHEMBL2000100

NC1CCN(c2cccnn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.54
MEN1 O00255 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR3A P46098 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.50
RIPK1 Q13546 1/20 0.45
PRKCQ Q04759 2/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44

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
SCHEMBL15378778 0.90 DPP4 (0.47) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL15378779 0.90 DPP4 (0.47) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL17309195 0.90 DPP4 (0.47) HTR3EMEN1HTR3BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL18890084 0.88 DPP4 (0.46) HTR3EMEN1HTR3BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL17295980 0.88 DPP4 (0.46) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL14094520 0.82 NPC1 (0.52) MEN1TSHRKMT2ARIPK1SLC6A7
SCHEMBL3715603 0.82 RIPK1 (0.48) RIPK1DPP4DPP8DPP9SLC6A7
SCHEMBL15378530 0.81 DPP4 (0.40) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL31357446 0.81 RIPK1 (0.43) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL23515334 0.80 PRKCQ (0.49) PRKCQDPP4DPP8DPP9IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169575-B1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMA (JP) 2026-01-07 EP disclosed
CN-115667259-B Fused ring compounds for inhibiting H-PGDS 佐藤制药株式会社 2025-06-17 CN disclosed
CN-119768169-A Substituted fused bicyclic compounds and related methods of treatment 阿尔克姆斯有限公司 2025-04-04 CN disclosed
CN-119730843-A Substituted pyrrolidinyl and piperidinyl compounds and related methods of treatment 阿尔克姆斯有限公司 2025-03-28 CN disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
EP-4169575-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS Sato Pharmaceutical Co., Ltd. (JP) 2023-04-26 EP disclosed
US-20230107941-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. 2023-04-06 US disclosed
CN-115667259-A Condensed ring compounds for inhibiting H-PGDS 佐藤制药株式会社 2023-01-31 CN disclosed
US-11254666-B2 Compound as GLS1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-02-22 US disclosed
EP-3640250-B1 COMPOUND AS GLS1 INHIBITOR MEDSHINE DISCOVERY INC (CN) 2021-12-15 EP disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO 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-20230107941-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP HTR3E 4400/4885MEN1 4740/4885HTR3B 3619/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HTR3E 3420/4885MEN1 4332/4885HTR3B 2891/4885
US-11254666-B2 Compound as GLS1 inhibitor GLS, GLS2, GLB1 HTR3E 4136/4885MEN1 1943/4885HTR3B 3387/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HTR3E 2553/4885MEN1 2003/4885HTR3B 1914/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS HTR3E 1127/4885MEN1 4367/4885HTR3B 1360/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HTR3E 3420/4885MEN1 4332/4885HTR3B 2891/4885

“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.