SCHEMBL1993565

SCHEMBL1993565

CN1CCN(c2nc(CC(N)=O)c3c(F)cccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.46
HTR3A P46098 3/20 0.44
HTR6 P50406 4/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
CDK11A Q9UQ88 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39

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
SCHEMBL1994914 0.90 HRH4 (0.46) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1994195 0.87 HRH4 (0.57) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1996128 0.87 HRH4 (0.46) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1990553 0.84 ADRA1A (0.45) HRH4HTR3AHTR6ALDH1A1HTR1A
SCHEMBL1995750 0.84 TRPV4 (0.41) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1993681 0.81 HRH4 (0.61) HRH4HTR3AKDM4EHTTGLA
SCHEMBL1990548 0.79 KMT2A (0.41) HRH4KMT2A
SCHEMBL1990546 0.79 KMT2A (0.41) HRH4KMT2A
SCHEMBL2001802 0.78 HRH4 (0.50) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1990158 0.77 HRH4 (0.49) HRH4HTR3AHTR6KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO HRH4 249/4885HTR3A 1075/4885HTR6 368/4885

“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.