SCHEMBL1673550

SCHEMBL1673550

c1cc(N2CCCC2)ccc1C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
SLC18A3 Q16572 1/20 0.52
HTR2C P28335 2/20 0.49
HTR3A P46098 4/20 0.46
QDPR P09417 1/20 0.44
ADRB1 P08588 4/20 0.44
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
Hydrochloric Acid SCHEMBL25322434 0.98 SIGMAR1 (0.50) SIGMAR1SLC18A3HTR2CHTR3AQDPR
SCHEMBL10162739 0.91 HTR3A (0.58) SIGMAR1SLC18A3HTR3AL3MBTL1L3MBTL3
SCHEMBL23064493 0.86 L3MBTL1 (0.52) L3MBTL1L3MBTL3KMT2AKDM4EMEN1
SCHEMBL10161191 0.86 HTR3A (0.56) SIGMAR1SLC18A3HTR3AADRB1HTR3E
SCHEMBL19139501 0.86 SIGMAR1 (0.48) SIGMAR1SLC18A3HTR2CHTR3AQDPR
SCHEMBL38661103 0.85 ADRB1 (0.53) SIGMAR1HTR3AADRB1HTR3EHTR3B
SCHEMBL4252026 0.85 ADRB1 (0.57) SIGMAR1HTR3AADRB1HTR3EHTR3B
SCHEMBL22340268 0.84 SIGMAR1 (0.47) SIGMAR1SLC18A3HTR2CHTR3AQDPR
SCHEMBL5801067 0.84 MAPT (0.66) SLC18A3ADRB1KMT2AMEN1ALDH1A1
SCHEMBL30228474 0.84 ALDH1A1 (0.52) L3MBTL1L3MBTL3KMT2AKDM4EMEN1

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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 EP disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 WO disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (2 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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 SIGMAR1 761/4885SLC18A3 3338/4885HTR2C 2603/4885
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT SIGMAR1 551/4885SLC18A3 1173/4885HTR2C 881/4885

“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.