SCHEMBL640904

SCHEMBL640904

O=C(O)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
CHRM4 P08173 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CCR5 P51681 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL639999 1.00 ACHE (0.56) ACHECHRM4SMN1; SMN2RECQLALDH1A1
SCHEMBL641232 1.00 ACHE (0.56) ACHECHRM4SMN1; SMN2RECQLALDH1A1
SCHEMBL641990 0.92 PRMT5 (0.56) ACHESMN1; SMN2RECQLALDH1A1KDM4E
SCHEMBL4464843 0.92 ACHE (0.62) ACHECHRM4SMN1; SMN2RECQLALDH1A1
SCHEMBL642022 0.90 SIGMAR1 (0.55) ACHESMN1; SMN2RECQLALDH1A1KDM4E
SCHEMBL3599380 0.86 ACHE (0.69) ACHESMN1; SMN2RECQLALDH1A1KDM4E
SCHEMBL31329712 0.84 KMT2A (0.49) SMN1; SMN2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL642728 0.83 JAK2 (0.54) ACHECHRM4SMN1; SMN2RECQLALDH1A1
SCHEMBL642727 0.83 JAK2 (0.54) ACHECHRM4SMN1; SMN2RECQLALDH1A1
SCHEMBL7128583 0.82 DPP4 (0.49) ACHESMN1; SMN2RECQLALDH1A1KDM4E

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ACHE 2961/4885CHRM4 1213/4885SMN1; SMN2 3474/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ACHE 2961/4885CHRM4 1213/4885SMN1; SMN2 3474/4885

“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.