SCHEMBL13232143

SCHEMBL13232143

COC(=O)CN1CCC2(CC1)C(C)(C)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ OPRL1 P41146 6/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 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
SCHEMBL12379861 0.80 TSHR (0.46) SMN1; SMN2TSHR
SCHEMBL70778 0.80 TSHR (0.46) SMN1; SMN2TSHR
SCHEMBL1133592 0.80 — —
SCHEMBL1474423 0.79 TACR1 (0.40) TACR1CYP2D6OPRL1TSHROPRM1
SCHEMBL13232146 0.77 KDM4E (0.48) SMN1; SMN2TSHR
SCHEMBL65441 0.76 ALDH1A1 (0.50) SMN1; SMN2CYP2D6TSHRMEN1KMT2A
SCHEMBL28738942 0.76 — —
SCHEMBL65325 0.74 ALDH1A1 (0.53) SMN1; SMN2CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL28912856 0.74 ALDH1A1 (0.49) SMN1; SMN2CYP2D6TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL4391137 0.74 ALDH1A1 (0.53) SMN1; SMN2CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 — — 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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 TACR1 160/4885SMN1; SMN2 4638/4885CYP2D6 4413/4885

“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.

Send feedback