SCHEMBL7607644

SCHEMBL7607644

COc1ccc2c(c1)C(c1c[nH]cn1)CC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
CYP11B1 P15538 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
MTNR1A P48039 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CHRNA7 P36544 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NQO2 P16083 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL7609736 0.89 CYP19A1 (0.46) CYP19A1HTR2CDRD2DRD3CHRNA7
SCHEMBL8865285 0.83 GID4 (0.50) CYP19A1HTR2CSIGMAR1CHRNA7
SCHEMBL7604812 0.82 CYP2D6 (0.38) HTR2CHTR2BDRD2SLC6A2SLC6A4
SCHEMBL7608444 0.78 DRD2 (0.40) DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL7039559 0.78 ADRA1A (0.33) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL6250927 0.76 ADRA1A (0.54) CYP19A1SIGMAR1
SCHEMBL7037093 0.75 MTNR1A (0.50) CYP19A1CYP11B1SIGMAR1MTNR1ANQO2
SCHEMBL8865242 0.75 CHRNA7 (0.41) CHRNA7
SCHEMBL7866083 0.75 PARP1 (0.41) HTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL6377152 0.74 MTNR1A (0.49) SIGMAR1MTNR1ANQO2MTNR1B

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 5 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 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 CYP19A1 2719/4885CYP11B1 140/4885HTR2A 228/4885

“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.