SCHEMBL6790774

SCHEMBL6790774

c1ccc(-c2cccc(-c3cccc4c3C3CCNCCC3N4)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
GABRA1 P14867 6/20 0.38
GABRB2 P47870 5/20 0.38
HRH1 P35367 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 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
SCHEMBL6790777 1.00 BRD4 (0.40) BRD4CREBBPGABRA1GABRB2HRH1
SCHEMBL6791321 0.92 HRH1 (0.42) BRD4CREBBPGABRA1HRH1GABRG2
SCHEMBL6791319 0.92 HRH1 (0.42) BRD4CREBBPGABRA1HRH1GABRG2
SCHEMBL6782255 0.86 PLAT (0.39) LMNATSHRHTR1AHTR7CHRM1
SCHEMBL6790499 0.86 HTR2C (0.41) GABRA1GABRB2LMNATSHRHTR1A
SCHEMBL6782257 0.86 PLAT (0.39) LMNATSHRHTR1AHTR7CHRM1
SCHEMBL6790502 0.86 HTR2C (0.41) GABRA1GABRB2LMNATSHRHTR1A
SCHEMBL6784662 0.86 ALOX5AP (0.37) CREBBPHRH1LMNATSHRHTR1A
SCHEMBL6784658 0.86 ALOX5AP (0.37) CREBBPHRH1LMNATSHRHTR1A
Hydrochloric Acid SCHEMBL6781502 0.85 CHRM1 (0.46) GABRA1GABRG2GABRB3CHRM1CHRM3

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 BRD4 1644/4885CREBBP 3464/4885GABRA1 571/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 BRD4 1644/4885CREBBP 3464/4885GABRA1 571/4885

“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.