SCHEMBL1836192

SCHEMBL1836192

O=C(NCCCCCCNC(=O)OCCc1ccccc1)OCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
TGM2 P21980 1/20 0.57
HTT P42858 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55

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
SCHEMBL25447800 1.00 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4TGM2
SCHEMBL9828606 0.93 HTT (0.65) CHRNB2CHRNB4CHRNA3CHRNA4TGM2
SCHEMBL4924895 0.89 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4TGM2
SCHEMBL25447798 0.87 PPARA (0.50) CHRNB2CHRNB4CHRNA3CHRNA4TGM2
SCHEMBL2258399 0.87 SMN1; SMN2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL4919986 0.85 SMN1; SMN2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4TGM2
SCHEMBL5322076 0.85 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4HDAC3
SCHEMBL9830722 0.85 HTT (0.63) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7297604 0.85 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL8395839 0.84 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
US-4388238-A FROM PRIMARY AMINES, ALCOHOLS, AND CARBONYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
EP-0027952-A1 Process for preparing N,O-disubstituted urethanes BAYER AG (DE) 1981-05-06 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 (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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 CHRNB2 2941/4885CHRNB4 2355/4885CHRNA3 2088/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH CHRNB2 2706/4885CHRNB4 1669/4885CHRNA3 2016/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 CHRNB2 2941/4885CHRNB4 2355/4885CHRNA3 2088/4885

“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.