SCHEMBL3810247

SCHEMBL3810247

c1ccc2c(c1)CCC21CCN(C2C3CCC2CC3)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.62
SLC18A3 Q16572 2/20 0.62
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRL1 P41146 1/20 0.52

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
SCHEMBL14467575 0.81 SIGMAR1 (0.62) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL3810495 0.81 SIGMAR1 (0.62) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL3816106 0.80 SIGMAR1 (0.68) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL3817548 0.79 SLC18A3 (0.69) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL3810797 0.79 SIGMAR1 (0.60) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL3991405 0.79 SIGMAR1 (0.53) SIGMAR1SLC18A3TP53CYP1A2CYP3A4
SCHEMBL3825180 0.78 SLC18A3 (0.63) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL14467581 0.78 SIGMAR1 (0.58) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
SCHEMBL3812732 0.77 SLC18A3 (0.58) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL7379764 0.76 SIGMAR1 (0.64) SIGMAR1SLC18A3ALDH1A1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385514-B9 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2009-08-12 EP claimed
EP-1385514-B1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2008-11-05 EP claimed
US-6828440-B2 Analgesics; side effect reduction EURO-CELTIQUE, S.A. (LU) 2004-12-07 US claimed
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 US claimed
EP-1385514-B9 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2009-08-12 EP disclosed
EP-2033644-A1 Spiroindene and spiroindane compounds EURO-CELTIQUE S.A. (LU) 2009-03-11 EP disclosed
EP-1385514-B1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2008-11-05 EP disclosed
US-6828440-B2 Analgesics; side effect reduction EURO-CELTIQUE, S.A. (LU) 2004-12-07 US disclosed
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 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-20030018041-A1 Spiroindene and spiroindane compounds NR3C2, REN, NR1I2 SIGMAR1 521/4885SLC18A3 4559/4885ALDH1A1 98/4885

“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.