SCHEMBL3364980

SCHEMBL3364980

CCN(CC)CCOC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
RECQL P46063 1/20 0.68
TSHR P16473 2/20 0.65
CYP2D6 P10635 1/20 0.65
MAOA P21397 1/20 0.65
HTR3A P46098 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
BLM P54132 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 2/20 0.62
PKM P14618 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SCN1A P35498 1/20 0.62
SCN2A Q99250 1/20 0.62
SCN3A Q9NY46 1/20 0.62
NFKB1 P19838 1/20 0.60
KCNH2 Q12809 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
SCHEMBL9865362 0.89 SMN1; SMN2 (0.65) HPGDRECQLTSHRCYP2D6MAOA
SCHEMBL4295410 0.85 HRH3 (0.68) HPGDTSHRCYP2D6MAOAHTR3A
SCHEMBL94128 0.85 HRH3 (0.68) TSHRCYP2D6MAOAHTR3AHRH3
SCHEMBL813535 0.85 HPGD (0.79) HPGDRECQLNPSR1ALDH1A1SMN1; SMN2
SCHEMBL26753689 0.84 HRH3 (0.63) HPGDRECQLTSHRCYP2D6MAOA
SCHEMBL6677 0.84 HRH3 (0.67) TSHRCYP2D6MAOAHTR3AHRH3
SCHEMBL9576578 0.84 HRH3 (0.71) TSHRCYP2D6MAOAHTR3AHRH3
Water SCHEMBL8171709 0.83 HRH3 (0.65) TSHRCYP2D6MAOAHTR3AHRH3
Hydrochloric Acid SCHEMBL24097 0.83 BLM (0.68) TSHRCYP2D6MAOAHTR3AHRH3
Iodide SCHEMBL1022754 0.83 HRH3 (0.65) TSHRCYP2D6MAOAHTR3AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
CN-116854693-A P2X 3 And/or P2X 2/3 Compounds and methods 阿沙纳生物科学公司 2023-10-10 CN disclosed
CN-109996546-B P2X 3 And/or P2X 2/3 Compounds and methods 阿沙纳生物科学公司 2023-06-27 CN disclosed
CN-116056871-A Selective laser sintering of polymer powders embedded with water-soluble flow additives 赢创运营有限公司 2023-05-02 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US disclosed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A HPGD 3754/4885RECQL 699/4885TSHR 1346/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 HPGD 1817/4885RECQL 108/4885TSHR 4634/4885

“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.