SCHEMBL7609559

SCHEMBL7609559

CC1(c2c[nH]cn2)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
SRD5A1 P18405 1/20 0.36
MAOB P27338 1/20 0.35
HTR2A P28223 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
BACE1 P56817 1/20 0.34
AKR1B1 P15121 1/20 0.33

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
SCHEMBL8865262 0.91 KDM1A (0.47) KDM1ASRD5A1SIGMAR1AKR1B1
SCHEMBL8865243 0.79 TSHR (0.38) KDM1ATSHRTDP1MAOBHTR2A
SCHEMBL13330632 0.76 SIGMAR1 (0.43) KDM1ATSHRTDP1ALDH1A1TP53
SCHEMBL768782 0.74 AKR1B1 (0.40) KDM1ASIGMAR1AKR1B1
SCHEMBL8611699 0.72 ADRA2A (0.34)
SCHEMBL8616201 0.72 KDM4E (0.39) ALDH1A1HTR2ASIGMAR1
SCHEMBL18826052 0.70 ADRA2A (0.55) TSHRTDP1
SCHEMBL8849610 0.70 SIGMAR1 (0.50) KDM1ATSHRTDP1ALDH1A1TP53
SCHEMBL14489209 0.68 KDM1A (0.42) KDM1ATSHRTDP1ALDH1A1TP53
SCHEMBL8988363 0.68 ADRA2A (0.32) KDM1A

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 KDM1A 1684/4885TSHR 375/4885TDP1 1286/4885

“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.