SCHEMBL6353737

SCHEMBL6353737

COc1ccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPT P10636 1/20 0.54
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
HTR1A P08908 2/20 0.53
DRD4 P21917 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53

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
SCHEMBL20284453 0.81 KMT2A (0.55) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL6357734 0.78 SOD1 (0.71) ALDH1A1TSHRHTTLMNAMEN1
SCHEMBL6353873 0.77 DRD4 (0.74) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL18937881 0.75 PPARA (0.54) MEN1KMT2ADRD2DRD3HTR1A
SCHEMBL10833664 0.74 DRD2 (0.61) ALDH1A1TSHRSMN1; SMN2LMNACYP1A2
SCHEMBL31121525 0.73 LOXL2 (0.54) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL30831999 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL6202951 0.73 LMNA (0.68) ALDH1A1TSHRHTTSMN1; SMN2LMNA
SCHEMBL6350328 0.73 KDM4E (1.00) ALDH1A1KDM4ETSHRHTTSMN1; SMN2
SCHEMBL20271113 0.72 SLC27A1 (0.59) ALDH1A1KDM4ETSHRHTTSMN1; SMN2

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 ALDH1A1 199/4885KDM4E 1593/4885TSHR 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.