SCHEMBL4988173

SCHEMBL4988173

CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 6/20 0.58
▸ IP6K3 Q96PC2 1/20 0.58
▸ IP6K2 Q9UHH9 1/20 0.58
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ ADRA2B P18089 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL3837117 0.81 IP6K1 (0.55) IP6K1IP6K3IP6K2HPGDMEN1
SCHEMBL13310616 0.79 ADRA2B (0.47) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL30507206 0.79 ADRA2B (0.47) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL24508494 0.77 IP6K1 (0.74) IP6K1IP6K3IP6K2HPGDMEN1
SCHEMBL29848224 0.77 IP6K1 (0.74) IP6K1IP6K3IP6K2HPGDMEN1
SCHEMBL29848517 0.76 IP6K1 (0.59) IP6K1IP6K3IP6K2HPGDMEN1
SCHEMBL17584776 0.75 ADRA2B (0.44) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL31430234 0.75 ADRA2B (0.50) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL2213581 0.75 ADRA2B (0.50) IP6K1IP6K3IP6K2MEN1KMT2A
SCHEMBL3252765 0.74 HRH4 (0.58) IP6K1IP6K3IP6K2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153862-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
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-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-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
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 IP6K1 2481/4885IP6K3 2906/4885IP6K2 2826/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 IP6K1 2481/4885IP6K3 2906/4885IP6K2 2826/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 IP6K1 2481/4885IP6K3 2906/4885IP6K2 2826/4885

“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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