SCHEMBL7038520

SCHEMBL7038520

CC(C)(C)c1cc2c(cc1O)CCC2c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
ATP2A2 P16615 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATP2A3 Q93084 1/20 0.35
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
DRD2 P14416 2/20 0.31
DRD1 P21728 1/20 0.31
IGF1R P08069 1/20 0.30
MAOA P21397 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30

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
SCHEMBL8865311 0.79 ALOX15 (0.51) ALOX15MAPTKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8865276 0.77 ALOX15 (0.50) ALOX15MAPTKDM4EALDH1A1CYP1A2
SCHEMBL7039517 0.77 ADRA2A (0.39) ALOX15MAPTKDM4EALDH1A1CYP1A2
SCHEMBL7039559 0.76 ADRA1A (0.33) ALDH1A1HPGDADRA1A
SCHEMBL7614024 0.74 ESR2 (0.42) DRD2DRD1DRD3
Hydrochloric Acid SCHEMBL8865538 0.73 ESR2 (0.41) DRD2DRD1DRD3
SCHEMBL7038660 0.72 ADRA2A (0.39) ALOX15MAPTKDM4EALDH1A1CYP1A2
SCHEMBL7604812 0.71 CYP2D6 (0.38) DRD2DRD1ADRA2AADRA1A
SCHEMBL7607412 0.71 DRD2 (0.30) DRD2DRD1
SCHEMBL7039368 0.70 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-20030096379-A1 Method for producing tryptamine derivatives BIOCATALYTICS, INC. 2003-05-22 US disclosed
EP-0888309-B1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY ORION CORP (FI) 2003-03-19 EP disclosed
US-6479530-B2 SUBSTITUTED 4(5)-(1-INDANYL,-INDANYLMETHYL, INDANYLMETHYLEN), 4(5)-(1-(1,2,3,4-TETRAHYDRONAPHTHYL, -NAPHTHYLMETHYL AND NAPHTHYLMETHYLEN)IMIDAZOLES; HYPOTENSIVE, ISCHEMIC AND ANXIOLYTIC AGENTS; NERVOUS AND MUSCULAR SYSTEM DISORDERS ORION CORPORATION (FI) 2002-11-12 US disclosed
US-20020007074-A1 Imidazole derivatives having affinity for alpha2 receptors KARJALAINEN ARTO (FI) 2002-01-17 US disclosed
US-6313311-B1 ADRENERGIC STIMULANTS FOR POTENTIATING ANESTHETICS PRIOR TO SURGERY; HYPOTENSIVE AGENTS, ANALGESICS, ANTIISCHEMIC AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS ORION CORPORATION (FI) 2001-11-06 US disclosed
EP-0888309-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY ORION CORPORATION (FI) 1999-01-07 EP disclosed
WO-1997012874-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY Orion-Yhtymä Oy (FI) 1997-04-10 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-20020007074-A1 Imidazole derivatives having affinity for alpha2 receptors CHRM1, CHRNA1, CNR1 ALOX15 2693/4885MAPT 1672/4885KDM4E 3475/4885

“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.