SCHEMBL7227653

SCHEMBL7227653

Cc1cc2c3c(c1)c1c(n3CCNC2)CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 1.00
HTR2A P28223 9/20 1.00
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
TP53 P04637 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPK1 P28482 2/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
CYP2C19 P33261 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
MAOA P21397 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
SCHEMBL4063381 0.97 HTR2C (1.00) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL7241922 0.84 HTR2C (1.00) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL29462303 0.78 HTR2C (1.00) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL7669760 0.78 HTR2C (1.00) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL12195257 0.78 HTR2C (0.64) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL2361919 0.78 HTR2C (0.64) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL5633951 0.77 HTR2C (1.00) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL5394622 0.77 HTR2C (1.00) HTR2CHTR2AMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2507551 0.77 HTR2C (0.62) HTR2CHTR2AMEN1KMT2AKDM4E
SCHEMBL6500958 0.77 HTR2C (0.62) HTR2CHTR2AMEN1KMT2AKDM4E

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-6503900-B2 For treatment or prevention of disorders such as obsessive-compulsive disorder, depression, anxiety, schizophrenia WYETH 2003-01-07 US claimed
US-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-07-04 US claimed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 WO claimed
US-6503900-B2 For treatment or prevention of disorders such as obsessive-compulsive disorder, depression, anxiety, schizophrenia WYETH 2003-01-07 US disclosed
US-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-07-04 US disclosed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 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 (1 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-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives GRIK1, GRIK3, GRIK4 HTR2C 31/4885HTR2A 169/4885MEN1 1231/4885

“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.