SCHEMBL641278

SCHEMBL641278

c1ccc(CN2CCN([C@H]3CCNC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.49
TRPV6 Q9H1D0 3/20 0.49
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
CCR3 P51677 1/20 0.47
MC4R P32245 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL641279 1.00 SIGMAR1 (0.56) SIGMAR1RECQLSMN1; SMN2TSHRTRPV6
SCHEMBL22545946 0.91 SIGMAR1 (0.53) SIGMAR1RECQLSMN1; SMN2TSHRTRPV6
SCHEMBL1206722 0.91 SIGMAR1 (0.64) SIGMAR1RECQLSMN1; SMN2TSHRTRPV6
SCHEMBL4797625 0.82 SIGMAR1 (0.69) SIGMAR1RECQLSMN1; SMN2TSHRTRPV6
SCHEMBL3709310 0.80 RECQL (0.70) SIGMAR1RECQLSMN1; SMN2TSHRTRPV6
SCHEMBL30898903 0.80 SIGMAR1 (0.50) SIGMAR1RECQLSMN1; SMN2TSHRDRD4
SCHEMBL31243361 0.80 SIGMAR1 (0.50) SIGMAR1RECQLSMN1; SMN2TSHRDRD4
SCHEMBL26172313 0.80 SIGMAR1 (0.50) SIGMAR1RECQLSMN1; SMN2TSHRDRD4
SCHEMBL30368507 0.80 SIGMAR1 (0.50) SIGMAR1RECQLSMN1; SMN2TSHRDRD4
Hydrochloric Acid SCHEMBL3706762 0.79 RECQL (0.68) SIGMAR1RECQLSMN1; SMN2TSHRTRPV6

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
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
CN-101528712-B Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG 2013-10-30 CN 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 SIGMAR1 693/4885RECQL 236/4885SMN1; SMN2 3474/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A SIGMAR1 693/4885RECQL 236/4885SMN1; 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.