SCHEMBL4010506

SCHEMBL4010506

Cc1ccccc1C(=O)NCN1CC=C(c2ncccc2C)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HTR1A P08908 2/20 0.40
HPGD P15428 1/20 0.39
SLC6A9 P48067 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL4011618 0.85 HTR1A (0.46) HTR1AKMT2ADRD2DRD4
SCHEMBL4005802 0.85 DRD4 (0.54) HTR1AKMT2AKDM4EDRD2DRD4
SCHEMBL4002935 0.82 DRD4 (0.45) HTR1AKDM4EDRD2DRD4
SCHEMBL4005072 0.82 DRD2 (0.47) HTR1ASLC6A9KMT2ADRD2DRD4
SCHEMBL4002541 0.81 DRD4 (0.48) KMT2ADRD2DRD4
SCHEMBL3436517 0.80 WNT3A (0.43) KDM4ESMN1; SMN2
SCHEMBL4011528 0.77 KMT2A (0.52) MAPK1HPGDKMT2AKDM4ESMN1; SMN2
SCHEMBL4006705 0.75 KDM4E (0.53) KMT2AKDM4ESMN1; SMN2DRD2DRD4
SCHEMBL3222793 0.75 DRD4 (0.49) HTR1ADRD2DRD4
SCHEMBL4004624 0.73 MAPK1 (0.56) MAPK1KMT2AKDM4ESMN1; 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 7 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-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 MAPK1 2344/4885HTR1A 690/4885HPGD 375/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPK1 2344/4885HTR1A 690/4885HPGD 375/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MAPK1 3775/4885HTR1A 1246/4885HPGD 247/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPK1 2344/4885HTR1A 690/4885HPGD 375/4885

“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.