SCHEMBL4329636

SCHEMBL4329636

Cc1ccc(Cl)cc1C1=CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.60
SIGMAR1 Q99720 2/20 0.57
HTR6 P50406 10/20 0.55
MAPT P10636 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
HTR3A P46098 1/20 0.55
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44

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
Tert-Butyl Formate SCHEMBL27692064 0.86 HTR2C (0.46) HTR2CSIGMAR1HTR6MAPTHTR1B
SCHEMBL4329522 0.80 HTR2C (0.55) HTR2CSIGMAR1HTR6MAPTHTR1B
SCHEMBL17155164 0.80 HTR2C (0.55) HTR2CSIGMAR1HTR6MAPTHTR1B
SCHEMBL17154231 0.77 HTR2C (0.51) HTR2CSIGMAR1HTR6MAPTHTR1B
Hydrochloric Acid SCHEMBL9530706 0.76 HTR2C (0.61) HTR2CSIGMAR1HTR6MAPTHTR2A
SCHEMBL1366798 0.76 HTR2C (0.61) HTR2CSIGMAR1HTR6MAPTHTR2A
SCHEMBL4699231 0.76 HTR2C (0.47) HTR2CSIGMAR1HTR6MAPTHTR1B
SCHEMBL4700976 0.76 HTR2C (0.48) HTR2CSIGMAR1HTR6MAPTHTR1B
Hydrochloric Acid SCHEMBL652812 0.75 HTR2C (1.00) HTR2CSIGMAR1HTR6MAPTHTR1B
SCHEMBL20200674 0.75 HTR2C (0.49) HTR2CSIGMAR1HTR6MAPTHTR1B

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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A HTR2C 106/4885SIGMAR1 247/4885HTR6 164/4885
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 HTR2C 2955/4885SIGMAR1 4814/4885HTR6 2112/4885

“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.