SCHEMBL3812419

SCHEMBL3812419

c1ccc(CCN2CCC3(CCc4ccccc43)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 1.00
TP53 P04637 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2D6 P10635 2/20 0.74
TSHR P16473 2/20 0.74
CYP2C19 P33261 2/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP2C9 P11712 1/20 0.74
HTR2A P28223 5/20 0.67
HTR2C P28335 5/20 0.67
HTR2B P41595 5/20 0.67
DRD2 P14416 3/20 0.67
OPRL1 P41146 2/20 0.64
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
MTOR P42345 1/20 0.62
MEN1 O00255 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL9374544 0.92 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7437691 0.90 SIGMAR1 (0.82) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL466954 0.85 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8013750 0.84 SIGMAR1 (0.83) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7435097 0.82 SIGMAR1 (0.83) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL12120510 0.82 SIGMAR1 (0.69) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL17779034 0.81 SIGMAR1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18221709 0.81 SIGMAR1 (0.67) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6840744 0.81 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18209380 0.81 SIGMAR1 (0.67) SIGMAR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1385514-A4 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO CELTIQUE SA (LU) 2005-04-13 EP disclosed
US-6828440-B2 Analgesics; side effect reduction EURO-CELTIQUE, S.A. (LU) 2004-12-07 US disclosed
EP-1385514-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS Euro-Celtique S.A. (LU) 2004-02-04 EP disclosed
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 US disclosed
WO-2002085354-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2002-10-31 WO disclosed
US-5324733-A Selective ligands at sigma recognition sites MERCK SHARPE & DOHME LTD. 1994-06-28 US disclosed
US-5219860-A Neuroleptic agents MERCK SHARP & DOHME LIMITED (GB) 1993-06-15 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 521/4885TP53 3839/4885CYP1A2 292/4885

“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.