Sugi Predict

Sugi Predict / Compounds / SCHEMBL6787100

SCHEMBL6787100

SCHEMBL6787100

Clc1ccc(-c2cccc3c2C2CCNCCC2N3)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.42
▸ CYBB P04839 1/20 0.38
▸ NOX5 Q96PH1 1/20 0.38
▸ SLC6A2 P23975 7/20 0.37
▸ SLC6A4 P31645 7/20 0.37
▸ SLC6A3 Q01959 7/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ CHRM3 P20309 4/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ AHR P35869 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL6787105 1.00 CHRM1 (0.42) CHRM1CYBBNOX5SLC6A2SLC6A4
SCHEMBL6787066 0.89 CHRM1 (0.45) CHRM1SLC6A2SLC6A4SLC6A3BRD4
SCHEMBL6787063 0.89 CHRM1 (0.45) CHRM1SLC6A2SLC6A4SLC6A3BRD4
Hydrochloric Acid SCHEMBL6781502 0.85 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL6781498 0.85 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM4
Hydrochloric Acid SCHEMBL6789757 0.85 CHRM1 (0.37) CHRM1CHRM3CHRM2LMNATSHR
Hydrochloric Acid SCHEMBL6782042 0.85 CHRM1 (0.37) CHRM1CHRM3CHRM2LMNATSHR
SCHEMBL6786914 0.85 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL6786916 0.85 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL6785566 0.82 NR1H4 (0.40) SLC6A2SLC6A4SLC6A3LMNATSHR

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-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
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 — — EP disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 — — US disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 — — 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 CHRM1 91/4885CYBB 4803/4885NOX5 3287/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CHRM1 91/4885CYBB 4803/4885NOX5 3287/4885

“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.