SCHEMBL6410440

SCHEMBL6410440

O=C1NC(CN2CCC(Cc3cc(F)ccc3Cl)CC2)CN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6418660 0.92 P2RX7 (0.42) P2RX7HTR1ASLC6A4ATMALDH1A1
SCHEMBL6417645 0.90 SLC6A4 (0.41) P2RX7HTR1ASLC6A4ATMALDH1A1
SCHEMBL6413050 0.88 SLC6A4 (0.41) HTR1ASLC6A4ATM
SCHEMBL6416130 0.86 HTR1A (0.58) HTR1ASLC6A4OPRM1MEN1KMT2A
SCHEMBL6410666 0.85 ATM (0.44) HTR1ASLC6A4ATMALDH1A1OPRM1
SCHEMBL6613538 0.85 SLC6A4 (0.39) P2RX7HTR1ASLC6A4ATMALDH1A1
SCHEMBL6411101 0.84 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL6414264 0.83 HTR1A (0.46) HTR1ASLC6A4DRD2
SCHEMBL6419380 0.82 SLC6A4 (0.41) P2RX7HTR1ASLC6A4ATMALDH1A1
SCHEMBL6410338 0.82 GRM2 (0.47) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP 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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 P2RX7 597/4885HTR1A 1/4885SLC6A4 2/4885

“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.