SCHEMBL6782148

SCHEMBL6782148

COc1ccc(-c2ccc3[nH]c4c(c3c2)CCNCC4)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 3/20 0.60
ALOX15 P16050 3/20 0.60
HSD17B10 Q99714 2/20 0.60
THRB P10828 2/20 0.60
RECQL P46063 2/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
HTR7 P34969 3/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
NISCH Q9Y2I1 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.47
KMT2A Q03164 2/20 0.46
RAD52 P43351 1/20 0.46
USP2 O75604 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
Hydrochloric Acid SCHEMBL6475762 0.99 LMNA (0.59) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL2970063 0.85 HSD17B10 (0.81) LMNACYP1A2CYP2D6ALOX15HSD17B10
Hydrochloric Acid SCHEMBL6474417 0.84 LMNA (0.64) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL25189080 0.77 HTR7 (0.81) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL6474694 0.76 CDK4 (0.55) LMNAMAPTBAZ2BKDR
Hydrochloric Acid SCHEMBL6476137 0.76 CYP1A2 (0.44) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL329762 0.76 HSD17B10 (1.00) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL29440302 0.76 HSD17B10 (1.00) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL968283 0.76 HSD17B10 (0.79) LMNACYP1A2CYP2D6ALOX15HSD17B10
Hydrochloric Acid SCHEMBL31117399 0.76 SIRT2 (0.64) LMNACYP1A2CYP2D6ALOX15HSD17B10

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 LMNA 4136/4885CYP1A2 289/4885CYP2D6 203/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 LMNA 4136/4885CYP1A2 289/4885CYP2D6 203/4885

“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.