SCHEMBL6928010

SCHEMBL6928010

CC(C)Oc1ccccc1C1=CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.51
SIGMAR1 Q99720 2/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
DRD2 P14416 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR6 P50406 3/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
KHK P50053 1/20 0.40
QDPR P09417 2/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL31348179 0.83 CCNT1 (0.57) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL614978 0.83 CCNT1 (0.57) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL11633646 0.79 HTR2C (0.51) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL27389211 0.77 KDM4E (0.55) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL16154952 0.76 HTR2C (0.56) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4700586 0.75 HTR6 (0.51) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4702123 0.75 HTR2C (0.47) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL14704895 0.74 CCNT1 (0.49) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9530706 0.74 HTR2C (0.61) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL1366798 0.74 HTR2C (0.61) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
EP-0770066-A1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1997-05-02 EP disclosed
WO-1995033729-A1 SEROTONIN 5-HT1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1995-12-14 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-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D HTR2C 2/4885SIGMAR1 92/4885KDM4E 3785/4885

“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.