SCHEMBL639711

SCHEMBL639711

CCCN1CCN([C@H]2CCNC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
GNAO1 P09471 5/20 0.39
GNAI3 P08754 4/20 0.39
GNAI1 P63096 4/20 0.39
KHK P50053 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL639712 1.00 HTR6 (0.43) HTR6GNAO1GNAI3GNAI1KHK
SCHEMBL1482275 0.89 GNAO1 (0.45) GNAO1GNAI3GNAI1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1795218 0.87 GNAO1 (0.47) GNAO1GNAI3GNAI1SMN1; SMN2ALDH1A1
SCHEMBL31208735 0.85 HTR6 (0.46) HTR6KHKSMN1; SMN2
SCHEMBL31208773 0.85 HTR6 (0.46) HTR6KHKSMN1; SMN2
SCHEMBL8186969 0.85 DRD2 (0.36) GNAO1GNAI3GNAI1SMN1; SMN2ALDH1A1
SCHEMBL31209005 0.82 HTR6 (0.43) HTR6KHKSMN1; SMN2ALDH1A1
SCHEMBL12120282 0.82 HTR6 (0.43) HTR6KHKSMN1; SMN2ALDH1A1
SCHEMBL31209974 0.81 HTR6 (0.40) HTR6KHKHTR2AHTR2CHTR2B
SCHEMBL26972525 0.81 HTR6 (0.42) HTR6SMN1; SMN2DRD2HTR2AHTR2C

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 HTR6 826/4885GNAO1 2169/4885GNAI3 1444/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HTR6 826/4885GNAO1 2169/4885GNAI3 1444/4885

“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.