SCHEMBL6924622

SCHEMBL6924622

CCCOc1ccccc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.56
POLB P06746 2/20 0.53
CCR3 P51677 1/20 0.50
CHRM4 P08173 1/20 0.49
CCR8 P51685 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
CYP3A4 P08684 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL1513216 0.86 OPRL1 (0.60) OPRL1POLBCCR3CHRM4CCR8
SCHEMBL31028218 0.84 CHRM4 (0.64) OPRL1POLBCCR3CHRM4CCR8
SCHEMBL2970071 0.84 CHRM4 (0.64) OPRL1POLBCCR3CHRM4CCR8
SCHEMBL6924615 0.81 OPRL1 (0.57) OPRL1POLBCCR3CHRM4CCR8
SCHEMBL7490166 0.81 OPRL1 (0.60) OPRL1POLBCCR3CHRM4CCR8
SCHEMBL17825434 0.80 OPRL1 (0.66) OPRL1POLBCCR3ALDH1A1KDM4E
SCHEMBL6911078 0.78 OPRL1 (0.71) OPRL1POLBCCR3ALDH1A1DRD2
SCHEMBL2883677 0.77 OPRL1 (0.66) OPRL1POLBCCR3ALDH1A1CYP3A4
SCHEMBL16135205 0.76 OPRL1 (0.47) OPRL1POLBCCR3CCR8ALDH1A1
Hydrochloric Acid SCHEMBL11256637 0.76 POLB (0.66) OPRL1POLBCCR3ALDH1A1KDM4E

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 7 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
CN-1067057-C Serotonin 5-HT1A and dopamin D2 receptor ligands LUNDBECK & CO AS H (DK) 2001-06-13 CN disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
CN-1154107-A 5-hydroxytryptamine 5-HT1AAnd dopamine D2Receptor ligands LUNDBECK & CO AS H (DK) 1997-07-09 CN 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 OPRL1 37/4885POLB 3843/4885CCR3 577/4885

“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.