SCHEMBL4004441

SCHEMBL4004441

O=C(CN1CC=C(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
MAPT P10636 3/20 0.65
TSHR P16473 3/20 0.65
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 2/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LYPLA1 O75608 1/20 0.50
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TRPV1 Q8NER1 2/20 0.45

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
SCHEMBL4006338 0.84 LMNA (0.63) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL3999435 0.83 MAPK1 (0.60) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL4003397 0.81 KMT2A (0.61) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL4006631 0.81 KDM4E (0.55) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4009635 0.80 DRD4 (0.61) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL6236477 0.79 ALDH1A1 (0.56) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL4002904 0.79 HPGD (0.55) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL4009678 0.79 RAB9A (0.52) ALDH1A1MAPTTSHRKDM4ELMNA
SCHEMBL4005330 0.78 KMT2A (0.52) MAPTKDM4ELMNAL3MBTL1CYP2D6
SCHEMBL4004039 0.78 KDM4E (0.53) MAPTKDM4ELMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US claimed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US claimed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US claimed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 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 (4 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 88/4885MAPT 3896/4885TSHR 4192/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MAPT 3896/4885TSHR 4192/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885MAPT 3453/4885TSHR 4010/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885MAPT 3896/4885TSHR 4192/4885

“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.