SCHEMBL7229504

SCHEMBL7229504

CCCC(OCc1ccccc1)N1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
LTA4H P09960 1/20 0.37
CSNK1A1 P48729 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
UBE2M P61081 6/20 0.35
DCUN1D1 Q96GG9 6/20 0.35
SPHK1 Q9NYA1 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7228777 0.91 DPP4 (0.42) DPP4LTA4HSPHK1
SCHEMBL1389099 0.75 CYP1A2 (0.41) LMNATSHRSLC6A2SLC6A3HRH3
SCHEMBL27811490 0.73 CYP1A2 (0.39) TSHRSLC6A2SLC6A3HRH3
SCHEMBL4314801 0.71 POLB (0.43) SLC6A2
SCHEMBL27261678 0.69 KMT2A (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL7819314 0.68 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL9066639 0.68 SLC1A3 (0.46) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL8043274 0.68 SLC1A3 (0.46) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL22875267 0.68 GRIN2B (0.43) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL7049996 0.67 CTSL (0.41) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 DPP4 1526/4885LTA4H 2750/4885CSNK1A1 868/4885

“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.