SCHEMBL7110314

SCHEMBL7110314

COc1ccc2c(c1)C(Cc1c[nH]cn1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
MTNR1A P48039 3/20 0.47
ABCB1 P08183 1/20 0.46
NQO2 P16083 1/20 0.46
MTNR1B P49286 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL7037093 0.94 MTNR1A (0.50) SIGMAR1MTNR1ANQO2MTNR1B
Hydrochloric Acid SCHEMBL6377152 0.93 MTNR1A (0.49) SIGMAR1MTNR1ANQO2MTNR1B
SCHEMBL7038653 0.91 SIGMAR1 (0.49) SIGMAR1ABCB1
Hydrochloric Acid SCHEMBL7037238 0.90 SIGMAR1 (0.48) SIGMAR1
SCHEMBL7037226 0.84 PPARD (0.47) SIGMAR1
SCHEMBL13229179 0.84 KDM2B (0.38) SIGMAR1DRD2
SCHEMBL7111508 0.82 ESR1 (0.52) MTNR1ANQO2MTNR1BDRD2
Hydrochloric Acid SCHEMBL7038089 0.81 ESR1 (0.51) MTNR1ANQO2MTNR1BDRD2
SCHEMBL16691777 0.81 MTNR1A (0.41) SIGMAR1MTNR1ANQO2MTNR1B
SCHEMBL5960309 0.80 MTNR1A (0.46) MTNR1ANQO2MTNR1B

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 8 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
EP-1290012-A2 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES Novartis AG (CH) 2003-03-12 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
WO-2001089282-A2 2-AMINO-3-HYDROXY-4-TERT-LEUCYL-AMINO-5-PHENYL-PENTANOIC ACID AMIDE DERIVATIVES NOVARTIS AG (CH) 2001-11-29 WO 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 75/4885MTNR1A 173/4885ABCB1 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.