SCHEMBL3844843

SCHEMBL3844843

O=C1OC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
AVPR1A P37288 2/20 0.46
POLB P06746 1/20 0.46
HTR1A P08908 3/20 0.46
KMT2A Q03164 1/20 0.44
NPY5R Q15761 3/20 0.44
FASN P49327 1/20 0.43
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL4986171 0.87 PKM (0.48) HSD11B1PKMHPGDAVPR1APOLB
SCHEMBL3845345 0.87 AVPR1A (0.57) HSD11B1PKMHPGDAVPR1APOLB
SCHEMBL3842016 0.85 HTR1A (0.49) PKMHPGDAVPR1APOLBHTR1A
SCHEMBL4988916 0.83 AVPR1A (0.52) HSD11B1PKMHPGDAVPR1APOLB
SCHEMBL3839680 0.82 P2RX7 (0.50) AVPR1ANPY5R
SCHEMBL3841971 0.78 HTR1A (0.49) PKMHPGDAVPR1APOLBHTR1A
SCHEMBL3254763 0.75 GPR183 (0.59) AVPR1APOLBKMT2A
SCHEMBL3837818 0.75 HTR1A (0.48) PKMHPGDAVPR1APOLBHTR1A
SCHEMBL5138467 0.75 AVPR1A (0.80) HPGDAVPR1ANPY5R
SCHEMBL4355431 0.75 AVPR1A (0.80) HPGDAVPR1ANPY5R

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
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 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-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US claimed
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-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-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-20080153862-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 HSD11B1 1341/4885PKM 805/4885HPGD 1599/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HSD11B1 1341/4885PKM 805/4885HPGD 1599/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 HSD11B1 1341/4885PKM 805/4885HPGD 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.