SCHEMBL7039559

SCHEMBL7039559

CC(C)(C)c1ccc2c(c1)C(c1c[nH]cn1)CC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
CTSD P07339 1/20 0.32
TRPV1 Q8NER1 6/20 0.31
SIGMAR1 Q99720 1/20 0.31
PDE1B Q01064 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL7604812 0.82 CYP2D6 (0.38) ADRA1AHTR2CHTR2BTRPV1PDE1B
SCHEMBL7039368 0.80 ADRA2A (0.33) ADRA1A
SCHEMBL7607644 0.78 CYP19A1 (0.46) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7608444 0.78 DRD2 (0.40) ADRA1APDE1B
SCHEMBL7038520 0.76 ALOX15 (0.35) ADRA1AALDH1A1HPGD
SCHEMBL6250927 0.76 ADRA1A (0.54) ADRA1ASIGMAR1ALDH1A1
SCHEMBL7608195 0.75 BACE1 (0.33) ADRA1APDE1B
SCHEMBL7614024 0.70 ESR2 (0.42)
SCHEMBL14261202 0.70 CYP3A4 (0.43) ADRA1AHTR2CHTR2BTRPV1PDE1B
SCHEMBL7609736 0.70 CYP19A1 (0.46) HTR2C

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
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 ADRA1A 30/4885HTR2A 228/4885HTR2C 55/4885

“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.