SCHEMBL5880446

SCHEMBL5880446

c1cc2c(c(N3CCOCC3)n1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.46
LRRK2 Q5S007 1/20 0.45
HTR2B P41595 4/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MTOR P42345 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
HTR2A P28223 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL31354869 0.88 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL31354888 0.87 HTR2C (0.45) HTR2CHTR2BCYP1A2CYP2C9HTR2A
SCHEMBL14863103 0.87 HRH4 (0.47) HTR2CHTR2APOLBSMN1; SMN2
SCHEMBL21744587 0.82 LRRK2 (0.37) HTR2CLRRK2HTR2BMTORPIK3CD
SCHEMBL10200468 0.80 LRRK2 (0.43) HTR2CLRRK2HTR2BCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2111490 0.79 LRRK2 (0.42) HTR2CLRRK2HTR2BCYP1A2CYP2C9
SCHEMBL31401032 0.78 NOS3 (0.47) LRRK2CYP1A2CYP2C9KDM4ELMNA
SCHEMBL31400414 0.78 KMT2A (0.36) LRRK2CYP1A2CYP2C9MTORPIK3CD
SCHEMBL5265623 0.77 HTR2C (0.49) HTR2CLRRK2HTR2BMTORKDM4E
SCHEMBL31597918 0.77 HTR2C (0.49) HTR2CLRRK2HTR2BMTORKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US disclosed
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 US disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 EP disclosed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 US disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 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 (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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 HTR2C 3385/4885LRRK2 1466/4885HTR2B 3054/4885
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B HTR2C 103/4885LRRK2 1987/4885HTR2B 64/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 HTR2C 3385/4885LRRK2 1466/4885HTR2B 3054/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B HTR2C 97/4885LRRK2 2115/4885HTR2B 60/4885

“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.