SCHEMBL7097274

SCHEMBL7097274

O=C(CN1CC=CC=C1C1=CCNCC1)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C19 P33261 4/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LYPLA1 O75608 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6793606 0.79 MAPKAPK2 (0.45) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL6800083 0.78 HTR6 (0.38) ALDH1A1POLBGAAMAPTMEN1
SCHEMBL7098810 0.77 DRD4 (0.35) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL6800731 0.74 HTR2C (0.46) ALDH1A1POLBMEN1KMT2A
SCHEMBL6236477 0.72 ALDH1A1 (0.56) ALDH1A1POLBL3MBTL1CYP2C19TSHR
SCHEMBL6244403 0.72 KDM4E (0.42) ALDH1A1POLBL3MBTL1CYP2C19CYP3A4
SCHEMBL6805208 0.70 MEN1 (0.40) POLBL3MBTL1KDM4EMAPTMEN1
SCHEMBL6798524 0.67 LMNA (0.45) ALDH1A1POLBKDM4EGAAMAPT
SCHEMBL8288257 0.66 ALDH1A1 (0.65) ALDH1A1POLBL3MBTL1CYP2C19CYP3A4
SCHEMBL4006377 0.65 ALDH1A1 (0.67) ALDH1A1POLBL3MBTL1CYP2C19CYP3A4

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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US claimed

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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885POLB 3627/4885L3MBTL1 4477/4885

“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.