SCHEMBL6791237

SCHEMBL6791237

COc1cccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
HTR2C P28335 2/20 0.45
FYN P06241 1/20 0.44
PLAT P00750 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP1A2 P05177 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL6791230 1.00 CYP2C19 (0.45) CYP2C19HTR2CFYNPLATCD274
SCHEMBL6787744 0.88 HTR1A (0.43) HTR2CPLATTDP1ALDH1A1KDM4E
SCHEMBL6787739 0.88 HTR1A (0.43) HTR2CPLATTDP1ALDH1A1KDM4E
SCHEMBL6792227 0.87 HTR2C (0.46) CYP2C19HTR2CFYNTDP1KDM4E
SCHEMBL6792225 0.87 HTR2C (0.46) CYP2C19HTR2CFYNTDP1KDM4E
SCHEMBL6791107 0.85 PLAT (0.44) PLAT
SCHEMBL6791101 0.85 PLAT (0.44) PLAT
SCHEMBL6790499 0.84 HTR2C (0.41) HTR2CLMNATSHRHTR1AHTR7
SCHEMBL6790502 0.84 HTR2C (0.41) HTR2CLMNATSHRHTR1AHTR7
SCHEMBL6784918 0.84 CYP1A1 (0.44) CYP2C19HTR2CCYP1A2CYP3A4MAPK1

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 CYP2C19 163/4885HTR2C 6/4885FYN 1257/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CYP2C19 163/4885HTR2C 6/4885FYN 1257/4885

“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.