SCHEMBL3076356

SCHEMBL3076356

c1coc(CN2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 3/20 0.40
HRH1 P35367 2/20 0.40
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM5B Q9UGL1 1/20 0.37
CHRNB2 P17787 1/20 0.37

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
SCHEMBL3070225 0.98 CYP2D6 (0.41) HRH3CYP2C19HIF1ARAB9AKMT2A
SCHEMBL3556474 0.84 CYP2D6 (0.37) CYP2C19HIF1ARAB9AKMT2AATM
SCHEMBL2226301 0.83 CYP2D6 (0.35) CYP2D6HRH1
SCHEMBL30438943 0.83 CXCR4 (0.44) HRH3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL17285987 0.81 MC4R (0.42) HRH3RAB9ANPC1KDM4EALDH1A1
SCHEMBL6167565 0.81 CXCR4 (0.43) HRH3KMT2ASIGMAR1ALDH1A1
SCHEMBL18023854 0.81 KMT2A (0.44) RAB9AKMT2ACYP2D6HRH1NPC1
SCHEMBL17284720 0.81 LRRK2 (0.38) CYP2D6HRH1
SCHEMBL22878259 0.81 LRRK2 (0.35) CYP2C19CYP2D6HRH1CYP1A2
Hydrochloric Acid SCHEMBL17271881 0.80 CXCR4 (0.42) HRH3KMT2ASIGMAR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 US disclosed
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-11 US disclosed
US-7790720-B2 Compounds comprising an oxazole or thiazole moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2010-09-07 US disclosed
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 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 (3 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-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 HRH3 4828/4885CYP2C19 4010/4885HIF1A 2680/4885
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses OXER1, OXTR, OGFR HRH3 4/4885CYP2C19 248/4885HIF1A 1919/4885
US-20230144824-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 HRH3 326/4885CYP2C19 3357/4885HIF1A 2739/4885

“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.