SCHEMBL7609736

SCHEMBL7609736

COc1ccc2c(c1)CCC2c1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
SRD5A1 P18405 2/20 0.44
HTR2C P28335 1/20 0.44
DRD1 P21728 1/20 0.42
GID4 Q8IVV7 1/20 0.41
PPARD Q03181 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

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
SCHEMBL8865285 0.94 GID4 (0.50) CYP19A1SRD5A1HTR2CGID4CHRNA7
SCHEMBL7607644 0.89 CYP19A1 (0.46) CYP19A1HTR2CDRD2DRD3CHRNA7
SCHEMBL8865423 0.80 KDM4C (0.41) GID4
SCHEMBL7614024 0.79 ESR2 (0.42) CYP19A1DRD1DRD2DRD3
SCHEMBL14261202 0.79 CYP3A4 (0.43) SRD5A1HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8865538 0.78 ESR2 (0.41) CYP19A1DRD1DRD2DRD3
SCHEMBL7866083 0.77 PARP1 (0.41) HTR2CDRD1
SCHEMBL6250927 0.76 ADRA1A (0.54) CYP19A1
SCHEMBL7605131 0.76 HTR1A (0.43) DRD2
SCHEMBL8865117 0.76 SRD5A1 (0.39) SRD5A1GID4SLC6A2SLC6A4SLC6A3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US claimed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP 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
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
WO-1997012874-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY Orion-Yhtymä Oy (FI) 1997-04-10 WO disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP 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 2719/4885SRD5A1 1194/4885HTR2C 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.