SCHEMBL3595898

SCHEMBL3595898

O=C(O)N1CCN(C(=O)C2CCOCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
GPR183 P32249 1/20 0.48
KCNH2 Q12809 1/20 0.48
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PKM P14618 1/20 0.44
CNR2 P34972 3/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44

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
SCHEMBL2677236 0.94 HPGD (0.57) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL2677465 0.94 TSHR (0.52) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL2677457 0.92 HPGD (0.53) TSHRALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL2049321 0.85 ALDH1A1 (0.62) TSHRALDH1A1HPGDHTTCHRNB2
SCHEMBL4036891 0.84 TSHR (0.52) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL2678757 0.84 CNR2 (0.49) TSHRALDH1A1HPGDHTTHRH3
SCHEMBL18415359 0.83 HPGD (0.68) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL4036894 0.82 HTT (0.62) TSHRALDH1A1SMN1; SMN2GPR183KCNH2
SCHEMBL1911828 0.82 HPGD (0.72) TSHRALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL3828585 0.81 ALDH1A1 (0.78) TSHRALDH1A1SMN1; SMN2HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 CN claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
CN-101365698-A 2-urea-4-phenylthiazole derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-02-11 CN disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 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 (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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 TSHR 852/4885ALDH1A1 838/4885SMN1; SMN2 1699/4885

“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.