SCHEMBL3839355

SCHEMBL3839355

O=C(c1ccc2ccccc2c1)N1CCC2(C=Cc3ccccc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 1/20 0.61
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
AKR1C1 Q04828 1/20 0.52
HSD11B1 P28845 1/20 0.52
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.51
NPC1L1 Q9UHC9 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3837633 0.84 MCHR2 (0.60) MCHR2HPGDHSD11B1NPC1L1
SCHEMBL4984631 0.80 MCHR2 (0.60) MCHR2HPGDHSD11B1NPC1L1ALDH1A1
SCHEMBL762618 0.80 MCHR2 (0.58) MCHR2HSD11B1NPC1L1FFAR1
SCHEMBL762613 0.79 MCHR2 (0.57) MCHR2HSD11B1LMNANPC1L1MAPT
SCHEMBL395086 0.79 HSD11B1 (0.64) MCHR2HSD11B1NPC1L1
SCHEMBL738652 0.78 MCHR2 (0.54) MCHR2HSD11B1LMNANPC1L1ALDH1A1
SCHEMBL4310722 0.77 TSHR (0.84) TSHRHPGDAKR1C1NPC1LMNA
SCHEMBL4236501 0.77 MCHR2 (0.55) MCHR2TSHRHSD11B1LMNANPC1L1
SCHEMBL737481 0.74 MCHR2 (0.50) MCHR2HSD11B1NPC1L1HTTFFAR1
SCHEMBL7218802 0.74 HPGD (0.73) TSHRHPGDAKR1C1NPC1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2535329-A2 Spiro-piperidine derivatives F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
EP-2097376-A2 SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-09 EP claimed
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO claimed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 US claimed
EP-2535329-A2 Spiro-piperidine derivatives F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
EP-2535329-A2 Spiro-piperidine derivatives F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
EP-2097376-A2 SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-09 EP disclosed
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO disclosed
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 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 (3 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-20080153863-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MCHR2 325/4885TSHR 131/4885HPGD 1599/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MCHR2 325/4885TSHR 131/4885HPGD 1599/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MCHR2 325/4885TSHR 131/4885HPGD 1599/4885

“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.