SCHEMBL5543628

SCHEMBL5543628

Clc1ccc(NCCCc2cc[c]cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.52
HTR2A P28223 2/20 0.52
MCHR1 Q99705 2/20 0.52
CNR1 P21554 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RHOC P08134 2/20 0.42
RHOA P61586 2/20 0.42
KDR P35968 1/20 0.41
FFAR1 O14842 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
ALOX12 P18054 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
SCHEMBL5537278 0.93 CHRM1 (0.52) CHRM1HTR2AMCHR1CNR1ALDH1A1
SCHEMBL3246568 0.89 GPR84 (0.46) CHRM1HTR2AMCHR1CNR1LMNA
SCHEMBL5543723 0.82 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2APIK3CD
SCHEMBL5539704 0.82 GPR84 (0.50) CHRM1HTR2AMCHR1CNR1ALDH1A1
SCHEMBL5543706 0.81 CHRM1 (0.39) CHRM1HTR2AMCHR1CNR1ALDH1A1
Hydrochloric Acid SCHEMBL6419975 0.81 ALDH1A1 (0.59) CHRM1HTR2AMCHR1CNR1ALDH1A1
SCHEMBL22894161 0.79 CHRM1 (0.56) CHRM1HTR2AMCHR1CNR1ALDH1A1
SCHEMBL4827710 0.79 L3MBTL1 (0.55) ALDH1A1MAPTMEN1KMT2APIK3CD
SCHEMBL3245776 0.78 MEN1 (0.56) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5541923 0.78 TAAR1 (0.49) CNR1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CHRM1 463/4885HTR2A 4120/4885MCHR1 2179/4885

“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.