SCHEMBL4984631

SCHEMBL4984631

CC(C)(C)c1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR2 Q969V1 1/20 0.60
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD11B1 P28845 1/20 0.51
▸ NPC1L1 Q9UHC9 1/20 0.51
▸ FFAR1 O14842 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47

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
SCHEMBL762618 0.83 MCHR2 (0.58) MCHR2HSD11B1NPC1L1FFAR1
SCHEMBL3839355 0.80 MCHR2 (0.61) MCHR2ALDH1A1HTTHPGDALOX15
SCHEMBL3837633 0.79 MCHR2 (0.60) MCHR2KMT2AHPGDHSD11B1NPC1L1
SCHEMBL395086 0.78 HSD11B1 (0.64) MCHR2HSD11B1NPC1L1
SCHEMBL1577665 0.77 HSD11B1 (0.54) MCHR2ALOX15HSD11B1
SCHEMBL30107924 0.77 HSD11B1 (0.54) MCHR2ALOX15HSD11B1
SCHEMBL762613 0.76 MCHR2 (0.57) MCHR2HSD11B1NPC1L1ABL1BCR
SCHEMBL737481 0.76 MCHR2 (0.50) MCHR2KMT2AHTTHSD11B1NPC1L1
SCHEMBL4236501 0.76 MCHR2 (0.55) MCHR2ALDH1A1SMN1; SMN2HSD11B1NPC1L1
SCHEMBL739407 0.76 MCHR2 (0.50) MCHR2MEN1KMT2AALDH1A1HTT

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 14 patents. 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 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
WO-2008077810-A2 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — WO 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-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
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 325/4885MEN1 2572/4885KMT2A 1250/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MCHR2 325/4885MEN1 2572/4885KMT2A 1250/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 MCHR2 325/4885MEN1 2572/4885KMT2A 1250/4885

“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.

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