Sugi Predict

Sugi Predict / Compounds / SCHEMBL6786701

SCHEMBL6786701

SCHEMBL6786701

CCCCCCOc1ccccc1-c1cccc2c1[C@@H]1CCNCC[C@@H]1N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ IKBKB O14920 3/20 0.36
▸ CNR2 P34972 5/20 0.35
▸ GCGR P47871 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ MAPT P10636 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
SCHEMBL6786699 1.00 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6785373 0.99 HTR2A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6785378 0.99 HTR2A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6785145 0.96 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7156816 0.96 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7159824 0.96 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6784495 0.96 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6785147 0.96 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6781199 0.92 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6780901 0.92 HTR2C (0.39) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 — — US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 — — US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 — — US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 — — 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 (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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 PDE5A 414/4885PDE4A 417/4885PDE4B 427/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 PDE5A 414/4885PDE4A 417/4885PDE4B 427/4885

“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.