SCHEMBL4044850

SCHEMBL4044850

COc1ccc2c(c1)CCCC2(N)CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
LMNA P02545 1/20 0.42
POLA1 P09884 2/20 0.40

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
SCHEMBL731400 0.91 KDM1A (0.49) KDM1ACYP2C19CYP2C9TSHRCYP3A4
SCHEMBL18793793 0.81 CYP3A4 (0.49) KDM1ACYP2C19CYP2C9TSHRCYP3A4
SCHEMBL29337389 0.81 CYP3A4 (0.49) KDM1ACYP2C19CYP2C9TSHRCYP3A4
SCHEMBL18793785 0.81 CYP3A4 (0.49) KDM1ACYP2C19CYP2C9TSHRCYP3A4
SCHEMBL23976448 0.78 BACE1 (0.39) KDM1ACYP2C19
SCHEMBL28970245 0.78 BACE1 (0.39) KDM1ACYP2C19
SCHEMBL30060666 0.78 BACE1 (0.39) KDM1ACYP2C19
SCHEMBL28970246 0.78 KDM1A (0.44) KDM1ACYP3A4SLC6A3SLC6A4
SCHEMBL23977007 0.78 KDM1A (0.44) KDM1ACYP3A4SLC6A3SLC6A4
SCHEMBL28970240 0.78 BACE1 (0.39) KDM1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2010540-A1 SPIRO-IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2009-01-07 EP disclosed
WO-2007116098-A1 SPIRO-IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 WO disclosed
US-5444079-A Arthropodicidal oxazolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-08-22 US disclosed
EP-0637302-A1 ARTHROPODICIDAL OXA- AND THIA-ZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-08 EP disclosed
WO-1993021165-A1 ARTHROPODICIDAL OXA- AND THIA-ZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-28 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 (1 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 KDM1A 3697/4885CYP2C19 89/4885CYP2C9 116/4885

“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.