SCHEMBL7121073

SCHEMBL7121073

CN1[C@@H]2CCC[C@@]1(c1ccccc1F)CC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
HDAC4 P56524 2/20 0.35
ABCB1 P08183 1/20 0.34
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 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
SCHEMBL30189641 0.82 KCNH2 (0.33) OPRL1KCNH2GRIN2BOPRM1OPRD1
SCHEMBL1843463 0.78 ALDH1A1 (0.34) KCNH2GRIN2B
SCHEMBL633353 0.78 SLC6A2 (0.43) OPRL1KCNH2GRIN2BOPRM1OPRD1
SCHEMBL9429598 0.75 OPRL1 (0.34) OPRL1HDAC4
SCHEMBL7968110 0.73 HTR6 (0.40) KCNH2MEN1CYP3A4KMT2A
SCHEMBL29435414 0.73 HTR6 (0.40) KCNH2MEN1CYP3A4KMT2A
SCHEMBL7356160 0.73 CHRNB4 (0.33)
SCHEMBL9429855 0.72 OPRL1 (0.32) OPRL1HDAC4
SCHEMBL7458612 0.70 OPRM1 (0.34) OPRM1KMT2A
SCHEMBL8812050 0.69 OPRM1 (0.36) GRIN2BOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670375-B2 Particularly, 8-aza-, 8-carbo- and 8-oxo- tropanes having 6-or 7-substituents; preferred are the dopamine transporter, the serotonin transporter and the norepinephrine transporter. ORGANIX, INC. 2003-12-30 US disclosed
US-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-01-24 US disclosed
WO-1995011901-A9 SUBSTITUTED 2-CARBOXYALKYL-3-(FLUOROPHENYL)-8-(3-HALOPROPEN-2-YL) NORTROPANES AND THEIR USE AS IMAGING AGENTS FOR NEURODEGENERATIVE DISORDERS 1995-06-15 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-20020010207-A1 Tropane analogs and methods for inhibition of monoamine transport SLC6A2, SLC6A4, SLC6A3 OPRL1 175/4885HDAC4 3069/4885ABCB1 92/4885

“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.