SCHEMBL6350328

SCHEMBL6350328

O=C(CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 2/20 1.00
TSHR P16473 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HTT P42858 1/20 1.00
HTR1A P08908 5/20 0.73
DRD2 P14416 4/20 0.73
HTR2A P28223 4/20 0.73
DRD3 P35462 4/20 0.73
DRD4 P21917 2/20 0.73
HTR2C P28335 2/20 0.73
ADRA2C P18825 1/20 0.73
HRH1 P35367 1/20 0.73
TMEM97 Q5BJF2 2/20 0.67
SIGMAR1 Q99720 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.64
SLC6A7 Q99884 1/20 0.60
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 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
SCHEMBL6353873 0.85 DRD4 (0.74) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL6349849 0.81 DRD4 (0.76) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL6349852 0.81 DRD4 (0.76) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL6358798 0.81 DRD4 (0.76) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL9871356 0.77 ALDH1A1 (0.61) KDM4EALDH1A1TSHRSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9871634 0.76 HTR2A (0.63) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL10368830 0.76 ATM (0.61) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL9660142 0.76 TSHR (0.68) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL11123253 0.76 ALDH1A1 (0.61) KDM4EALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL7356339 0.76 ALDH1A1 (0.66) KDM4EALDH1A1TSHRSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 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-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 KDM4E 1593/4885ALDH1A1 199/4885TSHR 2752/4885

“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.