SCHEMBL7604812

SCHEMBL7604812

Cc1ccc2c(c1)C(c1c[nH]cn1)CC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2A P08913 1/20 0.33
IDO1 P14902 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SRD5A1 P18405 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PDE1B Q01064 1/20 0.32

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
SCHEMBL8865117 0.82 SRD5A1 (0.39) CYP2D6SLC6A4SLC6A2SLC6A3ADRA1A
SCHEMBL7607644 0.82 CYP19A1 (0.46) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL7608444 0.82 DRD2 (0.40) CYP2D6SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL6250927 0.80 ADRA1A (0.54) CYP2D6ADRA1AADRA2AIDO1
SCHEMBL7608195 0.79 BACE1 (0.33) ADRA1APDE1B
SCHEMBL29222702 0.78 ADRA2A (0.58) SLC6A2ADRA1AHTR2CHTR2BADRA2A
SCHEMBL30543425 0.78 ADRA2A (0.58) SLC6A2ADRA1AHTR2CHTR2BADRA2A
SCHEMBL14261202 0.73 CYP3A4 (0.43) SLC6A4SLC6A2SLC6A3ADRA1AHTR2C
SCHEMBL7614024 0.73 ESR2 (0.42) DRD2DRD1
SCHEMBL7609736 0.73 CYP19A1 (0.46) SLC6A4SLC6A2SLC6A3DRD2DRD1

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
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 claimed
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 CYP2D6 1169/4885SLC6A4 1143/4885SLC6A2 1244/4885

“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.