Sugi Predict

Sugi Predict / Compounds / SCHEMBL7119008

SCHEMBL7119008

SCHEMBL7119008

Fc1ccc(OCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD2 P14416 9/20 0.35
▸ HTR2A P28223 9/20 0.35
▸ HTR1A P08908 9/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A4 P31645 7/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL7124339 0.91 HTR1A (0.40) KDM4EMEN1ALDH1A1CYP2D6CYP2C19
SCHEMBL7121423 0.91 ALDH1A1 (0.36) KDM4EMEN1ALDH1A1KMT2ADRD2
SCHEMBL7125207 0.91 KDM4E (0.47) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL7123074 0.90 LMNA (0.38) KDM4EMEN1ALDH1A1KMT2ADRD2
SCHEMBL7118092 0.88 HTR1A (0.33) DRD2HTR2AHTR1ASIGMAR1DRD3
SCHEMBL7127897 0.84 HRH3 (0.32) ALDH1A1DRD2HTR2AHTR1ASIGMAR1
SCHEMBL7128466 0.84 L3MBTL1 (0.47) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7127138 0.81 HTR1A (0.44) MEN1ALDH1A1KMT2ADRD2HTR2A
SCHEMBL7130577 0.81 ALDH1A1 (0.36) KDM4EMEN1ALDH1A1KMT2ADRD2
SCHEMBL7126591 0.81 ALDH1A1 (0.34) ALDH1A1DRD2HTR2AHTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 — — US claimed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 — — EP claimed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 — — WO claimed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 — — US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 — — EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 — — WO 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 KDM4E 2331/4885MEN1 3107/4885ALDH1A1 2108/4885

“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.