SCHEMBL7038653

SCHEMBL7038653

COc1ccc2c(c1)CCCC2Cc1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR6 P50406 1/20 0.47
ABCB1 P08183 1/20 0.46

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
Hydrochloric Acid SCHEMBL7037238 0.99 SIGMAR1 (0.48) SIGMAR1HTR6
SCHEMBL7037226 0.94 PPARD (0.47) SIGMAR1
SCHEMBL7110314 0.91 SIGMAR1 (0.52) SIGMAR1ABCB1
SCHEMBL7037093 0.84 MTNR1A (0.50) SIGMAR1
Hydrochloric Acid SCHEMBL6377152 0.83 MTNR1A (0.49) SIGMAR1
SCHEMBL7039816 0.82 ESR1 (0.60) SIGMAR1HTR6
SCHEMBL342339 0.79 CYP19A1 (0.45) SIGMAR1HTR6
SCHEMBL7038986 0.79 ABCB1 (0.39) SIGMAR1HTR6ABCB1
SCHEMBL7038123 0.78 SIGMAR1 (0.49) SIGMAR1ABCB1
SCHEMBL13229179 0.77 KDM2B (0.38) SIGMAR1

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 SIGMAR1 75/4885HTR6 227/4885ABCB1 2963/4885

“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.