Sugi Predict

Sugi Predict / Compounds / SCHEMBL6670150

SCHEMBL6670150

SCHEMBL6670150

Clc1cc(Cl)c(-c2cc(Cc3ccccc3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ SLC6A2 P23975 6/20 0.32
▸ SLC6A4 P31645 6/20 0.32
▸ SLC6A3 Q01959 5/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ GBA1 P04062 1/20 0.31
▸ REN P00797 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL6669610 1.00 KCNH2 (0.33) KCNH2HTR2AHRH1SLC6A2SLC6A4
SCHEMBL6669879 0.91 SLC6A2 (0.35) KCNH2HTR2AHRH1SLC6A2SLC6A4
SCHEMBL6669554 0.91 SLC6A2 (0.35) KCNH2HTR2AHRH1SLC6A2SLC6A4
SCHEMBL6670923 0.89 NMT1 (0.36) KCNH2HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6647466 0.89 NMT1 (0.36) KCNH2HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6668800 0.85 HTR2A (0.35) KCNH2HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6671416 0.85 HTR2A (0.35) KCNH2HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6670512 0.83 THRB (0.34) KCNH2HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6672870 0.83 HTR2C (0.45) HTR2ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL6667559 0.83 THRB (0.34) KCNH2HTR2ASLC6A2SLC6A4SLC6A3

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-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 — — US claimed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 — — US claimed
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 — — US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 — — US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 — — EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 — — US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 — — 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 (2 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A KCNH2 1096/4885HTR2A 23/4885HRH1 164/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A KCNH2 1096/4885HTR2A 23/4885HRH1 164/4885

“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.