SCHEMBL6350082

SCHEMBL6350082

c1ccc(CN2CCC(c3cnccn3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
USP30 Q70CQ3 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
ROCK2 O75116 1/20 0.47
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
CCR5 P51681 2/20 0.46
CXCR4 P61073 1/20 0.46
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
BACE1 P56817 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8844465 0.84 PDCD1LG2 (0.52) PDCD1LG2CD274USP30SIGMAR1DRD2
SCHEMBL14868702 0.84 PDCD1LG2 (0.52) PDCD1LG2CD274USP30SIGMAR1DRD2
SCHEMBL8844573 0.79 TP53 (0.59) PDCD1LG2CD274SIGMAR1ROCK2DRD2
SCHEMBL1740324 0.78 CYP2D6 (0.52) USP30SIGMAR1DRD2DRD4DRD3
SCHEMBL19116698 0.78 CD274 (0.47) PDCD1LG2CD274
SCHEMBL2636322 0.78 BCHE (0.53) USP30DRD2DRD4DRD3ACHE
SCHEMBL1546893 0.77 USP30 (0.48) USP30SIGMAR1DRD2DRD4DRD3
SCHEMBL8844231 0.77 TRPV6 (0.57) SIGMAR1DRD2CCR5CXCR4ACHE
SCHEMBL6195713 0.77 DRD4 (0.59) SIGMAR1DRD2DRD4DRD3ACHE
SCHEMBL13887159 0.76 FFAR1 (0.54)

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-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-7652134-B2 Tumor suppression agents with reduced side effects; anticancer; antibacterial and antiviral; contacting the corresponding ester with an amine and a Lewis acid CYLENE PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652134-B2 Tumor suppression agents with reduced side effects; anticancer; antibacterial and antiviral; contacting the corresponding ester with an amine and a Lewis acid CYLENE PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 US 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-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 PDCD1LG2 4378/4885CD274 3921/4885USP30 2065/4885

“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.