SCHEMBL13103018

SCHEMBL13103018

CN1CCC(C)(N(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CHRM2 P08172 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL11947867 0.85 TSHR (0.41) NEK2OPRD1TSHR
SCHEMBL12880918 0.84 DRD4 (0.38) —
SCHEMBL14252370 0.76 — —
SCHEMBL14422013 0.76 — —
SCHEMBL1930118 0.75 — —
SCHEMBL6050504 0.72 DRD4 (0.31) —
SCHEMBL12563431 0.72 GRIN2D (0.44) CHRM2
SCHEMBL12880916 0.71 — —
SCHEMBL1886832 0.69 — —
SCHEMBL1929396 0.69 — —

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
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 — — WO disclosed
US-20100273765-A1 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. 2010-10-28 — — US disclosed
US-7271165-B2 Rifamycin analogs and uses thereof ACTIVBIOTICS, INC. (US) 2007-09-18 — — US disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 — — 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 (2 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-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 NEK2 3456/4885OPRD1 2983/4885TSHR 2603/4885
US-20100273765-A1 Rifamycin analogs and uses thereof RIF1, HDAC5, AADAC NEK2 1757/4885OPRD1 3678/4885TSHR 2329/4885

“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.

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